SCHEMBL1609560

SCHEMBL1609560

Clc1ccc([C]2CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.54
CYP2A6 P11509 1/20 0.50
NOTUM Q6P988 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
CHRNB2 P17787 5/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNA7 P36544 3/20 0.41
CHRNA3 P32297 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CHRNB4 P30926 2/20 0.40
NAPRT Q6XQN6 1/20 0.39

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
SCHEMBL22716272 0.91 PIK3CD (0.50) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL28051519 0.82 PIK3CD (0.43) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL1662273 0.82 PIK3CD (0.73) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL1742300 0.73 PIK3CD (0.61) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL1960652 0.73 CHRNB2 (0.57) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL2248951 0.71 CYP2A6 (0.67) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL1610501 0.71 HPGDS (0.47) PIK3CDNPC1RAB9ACHRNB2CHRNA4
SCHEMBL24322363 0.71 ALDH1A1 (0.51) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL27586878 0.70 PIK3CD (0.57) PIK3CDCYP2A6NOTUMNPC1RAB9A
SCHEMBL1744354 0.70 PIK3CD (0.57) PIK3CDCYP2A6NOTUMNPC1RAB9A

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-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 PIK3CD 600/4885CYP2A6 245/4885NOTUM 240/4885
US-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA PIK3CD 2235/4885CYP2A6 4066/4885NOTUM 4441/4885

“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.