SCHEMBL3109064

SCHEMBL3109064

Cc1oc(-c2ccc(F)cc2F)cc1C(O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 15/20 0.38
KCNH2 Q12809 2/20 0.38
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDE2A O00408 1/20 0.34
POLB P06746 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
IDO1 P14902 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
SCHEMBL3110115 0.90 IDO1 (0.36) NPC1RAB9APDE2AIDO1
SCHEMBL3112727 0.85 ACKR3 (0.36) ACKR3KCNH2NPC1RAB9APOLB
SCHEMBL3106796 0.84 NPC1 (0.40) ACKR3NPC1RAB9APDE2AIDO1
SCHEMBL3109150 0.79 SCD (0.35) NPC1RAB9AIDO1
SCHEMBL3100038 0.78 NPC1 (0.41) NPC1RAB9APOLBIDO1
SCHEMBL3106839 0.78 IDO1 (0.36) NPC1RAB9APDE4BIDO1
SCHEMBL3101593 0.77 BRD4 (0.37) ACKR3POLBIDO1
SCHEMBL3112947 0.77 RCE1 (0.43) ACKR3KCNH2NPC1RAB9A
SCHEMBL3104373 0.76 BRD4 (0.36) KCNH2IDO1
SCHEMBL3101573 0.76 OPRL1 (0.33) NPC1RAB9AIDO1

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 ACKR3 370/4885KCNH2 426/4885NPC1 3994/4885

“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.