SCHEMBL3104433

SCHEMBL3104433

Cc1oc(-c2ccc(Cl)cc2Cl)cc1C(Cl)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 5/20 0.37
POLB P06746 2/20 0.37
BLM P54132 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.36
CRHR1 P34998 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3106773 0.90 NOTUM (0.33) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL3100038 0.86 NPC1 (0.41) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL3102056 0.83 NPC1 (0.43) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL3112727 0.79 ACKR3 (0.36) NPC1RAB9AALDH1A1CNR1POLB
SCHEMBL3101573 0.79 OPRL1 (0.33) NPC1RAB9AOPRL1
SCHEMBL3106839 0.77 IDO1 (0.36) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL3107059 0.76 MAOB (0.37) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL3110232 0.75 CNR1 (0.38) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL3106514 0.75 MAOB (0.38) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL3106759 0.74 PDE4A (0.37) NPC1RAB9AALDH1A1HPGDMAPT

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 3790/4885ALDH1A1 3963/4885

“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.