SCHEMBL358504

SCHEMBL358504

C[C@H](N)CN1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 1/20 0.34
MC4R P32245 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL991278 1.00 GAA (0.41) GAAKDM4EGLAPOLBLMNA
Hydrochloric Acid SCHEMBL14844239 0.98 GAA (0.40) GAAKDM4EGLAPOLBLMNA
SCHEMBL1043849 0.89 PIK3CD (0.39) KDM4EPOLBTSHRL3MBTL1PIK3CD
SCHEMBL6680924 0.89
SCHEMBL5668078 0.82 GAA (0.42) GAAKDM4EGLAPOLBLMNA
SCHEMBL20959874 0.82 PIK3CD (0.50) TSHRL3MBTL1PIK3CDALDH1A1SMN1; SMN2
SCHEMBL991986 0.81 ALOX15 (0.59) LMNAPIK3CDALDH1A1SMN1; SMN2KMT2A
SCHEMBL9801369 0.81 DRD2 (0.38) PIK3CDMEN1KMT2A
SCHEMBL13833162 0.81 ALOX15 (0.59) LMNAPIK3CDALDH1A1SMN1; SMN2KMT2A
SCHEMBL16716268 0.81 GAA (0.39) GAAKDM4EGLAPOLBLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-9896439-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2018-02-20 US disclosed
US-9849136-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2017-12-26 US disclosed
US-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-06-29 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
US-9617254-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2017-04-11 US disclosed
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-23 US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
US-20170057932-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-03-02 US disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 US disclosed
US-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 US disclosed
CN-101528717-A Thiazole and oxazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2009-09-09 CN disclosed
CN-101479250-A Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-06-05 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 GAA 2972/4885KDM4E 3543/4885GLA 4334/4885
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 GAA 3813/4885KDM4E 3385/4885GLA 4668/4885
US-20170182057-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 GAA 4216/4885KDM4E 3950/4885GLA 4533/4885
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 GAA 4321/4885KDM4E 3140/4885GLA 4657/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 GAA 3028/4885KDM4E 3508/4885GLA 4323/4885
US-20170081320-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 GAA 4187/4885KDM4E 3888/4885GLA 4745/4885
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 GAA 4011/4885KDM4E 3880/4885GLA 4553/4885
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 GAA 3577/4885KDM4E 3976/4885GLA 4648/4885
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 GAA 3641/4885KDM4E 3745/4885GLA 4230/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 GAA 3680/4885KDM4E 3644/4885GLA 4606/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 GAA 3680/4885KDM4E 3644/4885GLA 4606/4885
US-20170096416-A1 PYRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 GAA 4011/4885KDM4E 3880/4885GLA 4553/4885
US-20170057932-A1 BIPHENYL AND PHENYL-PYRIDINE AMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 GAA 3543/4885KDM4E 2122/4885GLA 4594/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.