SCHEMBL1626959

SCHEMBL1626959

COc1ccccc1CNN1CCCCC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
GAA P10253 2/20 0.53
TACR1 P25103 10/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
KDM1A O60341 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8328962 0.86 TACR1 (0.53) KMT2AGAATACR1KDM1AMAOA
SCHEMBL8328961 0.86 TACR1 (0.53) KMT2AGAATACR1KDM1AMAOA
SCHEMBL8681005 0.82 TACR1 (0.39) KMT2AGAATACR1KDM1AMAOA
Hydrochloric Acid SCHEMBL8681079 0.81 TACR1 (0.39) KMT2AGAATACR1KDM1AMAOA
Hydrochloric Acid SCHEMBL9420087 0.81 TACR1 (0.57) TACR1
SCHEMBL20178136 0.81 TACR1 (0.55) TACR1KDM1AMAOAMAOB
SCHEMBL20178205 0.80 TACR1 (0.46) TACR1KDM1AMAOAMAOB
SCHEMBL8701388 0.80 TACR1 (0.58) KMT2AGAATACR1TDP1
SCHEMBL8658284 0.80 MAPT (0.41) KMT2ATACR1SMN1; SMN2MEN1POLB
SCHEMBL8706700 0.79 SLC6A2 (0.45) KMT2ATACR1SMN1; SMN2MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110093959-A1 CRYPTOTIS PARVA SCREENING MODEL FOR ANTIEMETIC POTENTIAL WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2011-04-21 US disclosed
WO-2009097495-A1 THE CRYPTOTIS PARVA SCREENING MODEL FOR ANTIEMETIC POTENTIAL WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2009-08-06 WO disclosed
EP-0861235-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER INC. (US) 1998-09-02 EP disclosed
WO-1997008144-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER PHARMACEUTICALS INC. (JP) 1997-03-06 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 (1 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-20110093959-A1 CRYPTOTIS PARVA SCREENING MODEL FOR ANTIEMETIC POTENTIAL PNMT, SLC1A2, SLC1A1 KMT2A 264/4885GAA 4012/4885TACR1 468/4885

“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.