SCHEMBL9290481

SCHEMBL9290481

COC(=O)c1cccc(C(C)c2c[nH]cn2)c1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ATM Q13315 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.39
NR4A2 P43354 2/20 0.37
MAP2K1 Q02750 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.35
CFTR P13569 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.34
MYC P01106 1/20 0.34
CREBBP Q92793 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
SCHEMBL9290482 0.85 TSHR (0.40) KDM4EKMT2AALDH1A1LMNATSHR
SCHEMBL10401661 0.78 TSHR (0.42) KDM4EGAAKMT2AALDH1A1TSHR
Dexmedetomidine SCHEMBL22616265 0.78 ADRA2A (0.42) KMT2AALDH1A1LMNATSHRMAPT
SCHEMBL9128752 0.77 FAAH (0.30) LMNATSHR
SCHEMBL17745072 0.76 ADRA2A (0.35) TSHR
SCHEMBL9647534 0.76 ALDH1A1 (0.41) KDM4EGAAKMT2AALDH1A1LMNA
Medetomidine SCHEMBL22616184 0.76 ADRA2A (0.43) TSHRRAB9A
Dexmedetomidine SCHEMBL22616211 0.76 ADRA2A (0.43) TSHRRAB9A
Medetomidine SCHEMBL26432 0.76 ADRA2A (0.50) ATMTSHR
Medetomidine SCHEMBL18497244 0.76 ADRA2A (0.50) ATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3566703-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN INC (US) 2021-04-07 EP disclosed
EP-3566703-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN, INC. (US) 2019-11-13 EP disclosed
EP-3241553-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN INC (US) 2019-04-10 EP disclosed
EP-3241553-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN, INC. (US) 2017-11-08 EP disclosed
EP-2395999-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN INC (US) 2017-09-13 EP disclosed
US-9555021-B2 Pharmaceutical compositions comprising (3-(1-(1H-imidazol-4-yl)ethyl)-2-methylphenyl)methanol ALLERGAN, INC. (US) 2017-01-31 US disclosed
US-20160038466-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN, INC. 2016-02-11 US disclosed
US-9193690-B2 Pharmaceutical compositions comprising (3-(1-(1H-imidazol-4-yl)ethyl)-2-methylphenyl)methanol ALLERGAN, INC. (US) 2015-11-24 US disclosed
US-20150080445-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN, INC. 2015-03-19 US disclosed
US-20120136035-A1 4-(1-(3-(HYDROXYMETHYL)-2-METHYLPHENYL)ETHYL)-1H-IMIDAZOLE-2(3H)-THIONE ALLERGAN, INC. (US) 2012-05-31 US disclosed
US-20110301214-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLEGRAN, INC. (US) 2011-12-08 US disclosed
WO-2010093910-A1 4-(1-(3-(HYDROXYMETHYL)-2-METHYLPHENYL)ETHYL)-1H-IMIDAZOLE-2(3H)-THIONE ALLERGAN, INC. (US) 2010-08-19 WO disclosed
WO-2010093930-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN, INC. (US) 2010-08-19 WO 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 (4 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-20160038466-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL OPRK1, OPRM1, OPRD1 KDM4E 1982/4885ATM 3152/4885GAA 1721/4885
US-20110301214-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL OPRK1, OPRM1, OPRD1 KDM4E 1982/4885ATM 3152/4885GAA 1721/4885
US-20150080445-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL OPRK1, OPRM1, OPRD1 KDM4E 1982/4885ATM 3152/4885GAA 1721/4885
US-20120136035-A1 4-(1-(3-(HYDROXYMETHYL)-2-METHYLPHENYL)ETHYL)-1H-IMIDAZOLE-2(3H)-THIONE OPRK1, OPRD1, TPMT KDM4E 1708/4885ATM 2458/4885GAA 3907/4885

“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.