SCHEMBL3095575

SCHEMBL3095575

Cc1oc(-c2ccc(F)cc2)cc1C(Cl)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
GSK3B P49841 1/20 0.33
FAAH O00519 1/20 0.33
ABHD12 Q8N2K0 1/20 0.33
ACKR3 P25106 1/20 0.33
PRKDC P78527 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MAOB P27338 3/20 0.32
MAPT P10636 1/20 0.32
MMP13 P45452 2/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32

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
SCHEMBL3102056 0.88 NPC1 (0.43) NPC1RAB9AGSK3BPRKDCMAPT
SCHEMBL3107059 0.86 MAOB (0.37) NPC1RAB9ATDP1MAOBMAPT
SCHEMBL3111672 0.86 TRPV1 (0.39)
SCHEMBL3106514 0.85 MAOB (0.38) NPC1RAB9ATDP1MAOBMAPT
SCHEMBL3106759 0.84 PDE4A (0.37) NPC1RAB9AMAPTGABRA1HMGCR
SCHEMBL3106796 0.84 NPC1 (0.40) NPC1RAB9ATDP1CNR1CNR2
SCHEMBL3100993 0.84 HRH3 (0.38) PTGS2HMGCR
SCHEMBL3112727 0.84 ACKR3 (0.36) NPC1RAB9ACNR1ACKR3
SCHEMBL3101573 0.84 OPRL1 (0.33) NPC1RAB9APTGS2HMGCR
SCHEMBL3102652 0.83 PTGS2 (0.44) PTGS1PTGS2

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR NPC1 3994/4885RAB9A 3790/4885TDP1 4801/4885

“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.