SCHEMBL3947733

SCHEMBL3947733

Nc1cc(CCc2ccccc2)[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.49
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
TAAR1 Q96RJ0 1/20 0.44
DAO P14920 2/20 0.42
BACE1 P56817 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL3937754 0.84 MAPT (0.49) NPC1MAPTRAB9AGFERMAOB
SCHEMBL3940488 0.84 HRH4 (0.47) NPC1MAPTRAB9AGFER
SCHEMBL3499891 0.83 HPGD (0.59) COMTGFERTAAR1HPGDTSHR
SCHEMBL3947954 0.83 TAAR1 (0.51) NPC1RAB9ATAAR1DAOHCAR2
SCHEMBL27752733 0.83 NOS1 (0.40) COMTNPC1MAPTRAB9AGFER
SCHEMBL17967278 0.82 MKNK1 (0.54) NPC1MAPTRAB9AGFERMAOB
SCHEMBL4013700 0.82 TAAR1 (0.50) COMTNPC1MAPTRAB9AGFER
SCHEMBL4012117 0.82 TAAR1 (0.50) TAAR1BACE1HCAR2
Hydrochloric Acid SCHEMBL17397945 0.81 HPGD (0.57) COMTGFERTAAR1HPGDTSHR
SCHEMBL27922929 0.80 COMT (0.58) COMTMAPTRAB9ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428061-B2 Autotaxin inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-01 US disclosed
EP-3253748-B1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECH LTD (GB) 2019-04-17 EP disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
WO-2016124938-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 WO disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 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 (3 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-20180022742-A1 AUTOTAXIN INHIBITORS ENPP2, RNASE1, ATXN10 COMT 3241/4885NPC1 4099/4885MAPT 3124/4885
US-10428061-B2 Autotaxin inhibitors ENPP2, ATXN10, RNASE1 COMT 3149/4885NPC1 4012/4885MAPT 2930/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 COMT 1207/4885NPC1 13/4885MAPT 2200/4885

“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.