SCHEMBL2200116

SCHEMBL2200116

Cc1cccc(CCc2cn(Cc3ccccc3)cn2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH1 P35367 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KLKB1 P03952 1/20 0.36
P2RX7 Q99572 3/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP1A2 P05177 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
SCHEMBL10790079 0.86 HPGDS (0.42) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL11049916 0.82 HPGDS (0.43) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL10792191 0.80 CYP11B1 (0.39) NPC1RAB9AKLKB1CYP11B1CYP11B2
SCHEMBL10795781 0.79 HPGDS (0.43) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL10793172 0.79 TSHR (0.49) CYP2C9CYP2C19KDM5AKDM4CKDM5B
SCHEMBL10269258 0.78 CYP19A1 (0.54) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL10792085 0.78 CYP11B1 (0.47) CYP3A4CYP2C9NPC1RAB9AKDM5A
SCHEMBL10792247 0.77 CYP11B1 (0.39) KDM5BPHF8P2RX7CYP11B1CYP11B2
SCHEMBL10789833 0.77 CYP11B1 (0.41) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL6896976 0.75 HPGDS (0.50) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100048915-A1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS. GRINDEKS A JOINT STOCK COMPANY (LV) 2010-02-25 US disclosed
EP-1918282-A1 Method for preparing medetomidine and its salts "Joint Stock Company Grindeks" (LV) 2008-05-07 EP disclosed
US-4684659-A Antimypertensive substituted imidazoles FARMOS-YHTYMA OY (FI) 1987-08-04 US disclosed
US-4568686-A Substituted imidazoles and their use FARMOS YHTYMA OY (FI) 1986-02-04 US disclosed
EP-0034473-B1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Farmos-Yhtyma Oy (FI) 1983-09-21 EP disclosed
EP-0034473-A2 Substituted imidazoles, their preparation and pharmaceutical compositions containing the same Farmos-Yhtyma Oy (FI) 1981-08-26 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-20100048915-A1 METHOD FOR PREPARING MEDETOMIDINE AND ITS SALTS. ADRB2, ADRB3, OPRM1 HPGDS 3213/4885CYP3A4 12/4885CYP2D6 57/4885

“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.