SCHEMBL3364072

SCHEMBL3364072

CC/C=C(\CCC)c1c2cccc(Br)c2nn1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.40
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL3364077 1.00 GRM2 (0.40) GRM2ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL3364083 1.00 GRM2 (0.40) GRM2ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL14409410 0.86 KDM4E (0.37) ALDH1A1MAPTSMN1; SMN2TSHRNR1I2
SCHEMBL5451234 0.79 MPO (0.38) ALDH1A1MAPTSMN1; SMN2TSHRLMNA
SCHEMBL4697442 0.78 CRHR1 (0.42) ALDH1A1MAPT
SCHEMBL4697443 0.78 CRHR1 (0.42) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4698416 0.78 CRHR1 (0.42) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4698414 0.78 CRHR1 (0.42) ALDH1A1MAPT
SCHEMBL3363713 0.77 CRHR1 (0.43)
SCHEMBL3363707 0.77 CRHR1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
US-20070213373-A1 Indazole derivatives as CRF antagonists COURNOYER RICHARD L 2007-09-13 US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed
EP-1656353-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain ROCHE PALO ALTO LLC 2005-05-12 US disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 WO disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110815-A1 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC 2004-06-10 US 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-20070213373-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, CRH GRM2 235/4885ALDH1A1 1289/4885MAPT 3750/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 GRM2 197/4885ALDH1A1 1266/4885MAPT 3725/4885
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain HTR2C, GABRA2, GABRA4 GRM2 126/4885ALDH1A1 536/4885MAPT 958/4885

“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.