SCHEMBL4118367

SCHEMBL4118367

O=[C]N(c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 5/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 3/20 0.38
AGER Q15109 1/20 0.38
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EPHX1 P07099 2/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34

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
SCHEMBL14855820 0.81 MEN1 (0.46) CYP3A4KMT2ANPC1MEN1ALDH1A1
SCHEMBL2393892 0.81 MEN1 (0.46) CYP3A4KMT2ANPC1MEN1ALDH1A1
SCHEMBL14855771 0.79 MEN1 (0.44) CYP3A4KMT2ANPC1MEN1ALDH1A1
SCHEMBL27666322 0.78 HRH4 (0.36) CYP2C9CYP2C19CYP3A4CYP2D6SLC6A2
SCHEMBL14855591 0.77 MEN1 (0.41) CYP3A4KMT2ANPC1MEN1ALDH1A1
SCHEMBL7975175 0.76 HCAR2 (0.34) HPGDTSHR
SCHEMBL10791610 0.73 CYP2C9 (0.41) CYP2C9CYP2C19CYP3A4CYP2D6SLC6A2
SCHEMBL4118370 0.71 CYP2C9 (0.40) CYP2C9CYP2C19CYP3A4CYP2D6SLC6A2
SCHEMBL3245653 0.71 HTT (0.36) KMT2ANPC1MEN1ALDH1A1RAB9A
SCHEMBL5535883 0.70 NPC1 (0.50) CYP2C9CYP2C19CYP3A4CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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 (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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 CYP2C9 273/4885CYP2C19 470/4885CYP3A4 52/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 CYP2C9 273/4885CYP2C19 470/4885CYP3A4 52/4885

“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.