SCHEMBL3976340

SCHEMBL3976340

C=C(c1c[nH]cn1)c1cccc(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31

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
SCHEMBL31257137 1.00 TRPA1 (0.32) TRPA1ATMESR1ESR2NPC1
SCHEMBL21401285 0.85 ESR1 (0.35) ESR1ESR2
SCHEMBL21294038 0.84 ESR1 (0.35) TRPA1ATMESR1ESR2NPC1
SCHEMBL10547082 0.82 ALDH1A1 (0.30)
SCHEMBL11049910 0.81 ESR1 (0.38) TRPA1ATMESR1ESR2NPC1
SCHEMBL25990577 0.81 P2RX7 (0.33) TRPA1ATMESR1ESR2NPC1
SCHEMBL31257139 0.81 ESR1 (0.38) TRPA1ATMESR1ESR2NPC1
SCHEMBL10550141 0.80 NPC1 (0.33) TRPA1ATMESR1ESR2NPC1
SCHEMBL10550138 0.80 NPC1 (0.33) TRPA1ATMESR1ESR2NPC1
SCHEMBL3709071 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0072615-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1985-12-27 EP claimed
US-4544664-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1985-10-01 US claimed
EP-0072615-A1 Substituted imidazole derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-02-23 EP claimed
EP-4055009-B1 METHOD FOR PREPARING DEXMEDETOMIDINE NORCHIM (FR) 2023-10-11 EP disclosed
US-11718586-B2 Method for preparing dexmedetomidine NORCHIM (FR) 2023-08-08 US disclosed
US-11718586-B2 Method for preparing dexmedetomidine NORCHIM (FR) 2023-08-08 US disclosed
US-20190262314-A1 READY-TO-USE DEXMEDETOMIDINE COMPOSITIONS SLAYBACK PHARMA LLC 2019-08-29 US disclosed
EP-2079706-B1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS GRINDEKS JSC (LV) 2011-07-20 EP disclosed
US-7902377-B2 Method for preparing medetomidine and its salts JSC GRINDEKS (LV) 2011-03-08 US disclosed
US-7902377-B2 Method for preparing medetomidine and its salts JSC GRINDEKS (LV) 2011-03-08 US disclosed
US-20100048915-A1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS. GRINDEKS A JOINT STOCK COMPANY (LV) 2010-02-25 US disclosed
US-20100048915-A1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS. GRINDEKS A JOINT STOCK COMPANY (LV) 2010-02-25 US disclosed
WO-2009053709-A1 PROCESS FOR THE PREPARATION OF MEDETOMIDINE NORBROOK LABORATORIES LIMITED (GB) 2009-04-30 WO disclosed
WO-2008055852-A1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS GRINDEKS, A JOINT STOCK COMPANY (LV) 2008-05-15 WO disclosed
EP-1918282-A1 Method for preparing medetomidine and its salts "Joint Stock Company Grindeks" (LV) 2008-05-07 EP disclosed
US-4826864-A Substituted imidazole derivatives useful as antihypertensive or antithromtic agent or divretic FARMOS GROUP LTD. (FI) 1989-05-02 US disclosed
US-4639464-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1987-01-27 US disclosed
EP-0072615-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1985-12-27 EP disclosed
US-4544664-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1985-10-01 US disclosed
EP-0072615-A1 Substituted imidazole derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-02-23 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 (3 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-11718586-B2 Method for preparing dexmedetomidine ADH1C, ADH1A, ADH5 TRPA1 4517/4885ATM 4147/4885ESR1 4749/4885
US-20100048915-A1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS. ADRB2, ADRB3, OPRM1 TRPA1 1587/4885ATM 3837/4885ESR1 3311/4885
US-20190262314-A1 READY-TO-USE DEXMEDETOMIDINE COMPOSITIONS OPRD1, OPRM1, DRD2 TRPA1 976/4885ATM 4639/4885ESR1 3987/4885

“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.