SCHEMBL7216445

SCHEMBL7216445

Cc1ccc(-c2ccc3c(c2)CNCC3)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.54
PNMT P11086 5/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
CD274 Q9NZQ7 2/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL3240344 0.85 PNMT (0.60) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL29587394 0.85 PNMT (0.60) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL14904917 0.85 ASIC3 (0.55) ASIC3PNMTADRA2AADRA2BADRA2C
SCHEMBL30593253 0.84 PNMT (0.59) ASIC3PNMTADRA2AADRA2BADRA2C
SCHEMBL4663734 0.84 PNMT (0.59) ASIC3PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL21331206 0.83 PNMT (0.58) PNMTADRA2AADRA2BADRA2CDRD2
Hydrochloric Acid SCHEMBL29587818 0.83 PNMT (0.58) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL13778400 0.81 ASIC3 (0.51) ASIC3PNMTADRA2AADRA2BADRA2C
SCHEMBL1009138 0.81 PKN2 (0.54) ASIC3PNMTADRA2AADRA2BADRA2C
1,2,3,4-Tetrahydroisoquinoline SCHEMBL4892220 0.81 PNMT (0.66) ASIC3PNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 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 (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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 ASIC3 168/4885PNMT 3991/4885ADRA2A 354/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 ASIC3 168/4885PNMT 3991/4885ADRA2A 354/4885

“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.