SCHEMBL3127751

SCHEMBL3127751

CCc1ccccc1-c1cc2ccccc2cn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 2/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ ALOX5AP P20292 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ TRPA1 O75762 1/20 0.43
▸ ATR Q13535 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PDPK1 O15530 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ S1PR1 P21453 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
SCHEMBL18202037 0.83 ALOX5AP (0.42) NPC1RAB9AL3MBTL1CASP3SENP8
SCHEMBL28271036 0.81 NPC1 (0.74) NPC1RAB9ACYP1A2CYP2A6L3MBTL1
SCHEMBL807820 0.77 NPC1 (0.62) NPC1RAB9ACYP1A2CYP2A6L3MBTL1
SCHEMBL21130430 0.76 CD274 (0.53) NPC1RAB9ACYP1A2CYP2A6L3MBTL1
SCHEMBL5470573 0.74 NPC1 (0.63) NPC1RAB9ACYP1A2CYP2A6L3MBTL1
SCHEMBL15137768 0.74 LDHA (0.48) NPC1RAB9AALOX5APFEN1TRPA1
SCHEMBL14979563 0.74 CCR1 (0.52) CYP2A6ALOX5APFEN1TRPA1ATR
SCHEMBL3629022 0.74 TLR8 (0.45) RAB9ATRPA1ATRTLR8
SCHEMBL23599072 0.73 NPC1 (0.62) NPC1RAB9ACYP1A2CYP2A6L3MBTL1
SCHEMBL731645 0.73 NPC1 (0.62) NPC1RAB9ACYP1A2CYP2A6L3MBTL1

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-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 — — EP disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 — — US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 — — US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 — — 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-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 NPC1 266/4885RAB9A 2065/4885CYP1A2 2092/4885

“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.

Send feedback