SCHEMBL2937356

SCHEMBL2937356

COCCCOc1c[c]ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 5/20 0.36
GLA P06280 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
TDP1 Q9NUW8 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 3/20 0.33
DRD3 P35462 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA1A P35348 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
SCHEMBL11567090 0.89 KDM4E (0.36) TSHRKDM4EKMT2AALDH1A1GLA
SCHEMBL3075239 0.87 SMN1; SMN2 (0.34) KDM4EKMT2AALDH1A1CYP2C19TDP1
SCHEMBL2806331 0.84 SMN1; SMN2 (0.40) ALDH1A1TDP1SMN1; SMN2MAPTL3MBTL1
SCHEMBL16973600 0.82 L3MBTL1 (0.38) TSHRKDM4EKMT2AALDH1A1CYP2D6
SCHEMBL5369031 0.81 F2 (0.38) KDM4EALDH1A1GLATDP1L3MBTL1
SCHEMBL11566227 0.79 TSHR (0.35) TSHRKDM4EKMT2AALDH1A1GLA
SCHEMBL188652 0.79 CYP1A2 (0.47) KDM4EALDH1A1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL10272925 0.79 CYP2D6 (0.54) TSHRKDM4EKMT2AALDH1A1GLA
SCHEMBL3082367 0.77 FDPS (0.33) TSHRKMT2AALDH1A1CYP2C19DRD4
SCHEMBL10458094 0.76 ALDH1A1 (0.38) KDM4EKMT2AALDH1A1GLATDP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101326180-A Piperazine derivative renin inhibitors NOVARTIS AG (CH) 2008-12-17 CN claimed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US claimed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP claimed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO claimed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
CN-101326180-A Piperazine derivative renin inhibitors NOVARTIS AG (CH) 2008-12-17 CN disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO 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 (2 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD TSHR 2000/4885KDM4E 1562/4885KMT2A 3722/4885
US-20080242662-A1 Organic Compounds REN, ACE, ECE1 TSHR 2291/4885KDM4E 1853/4885KMT2A 3596/4885

“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.