SCHEMBL9463558

SCHEMBL9463558

Cc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.65
MAPT P10636 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ROCK1 Q13464 1/20 0.47
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
NR3C1 P04150 2/20 0.43
MAOB P27338 1/20 0.42
CYP19A1 P11511 1/20 0.41
EPHX2 P34913 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MGLL Q99685 1/20 0.40
ACHE P22303 1/20 0.40
BIRC5 O15392 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL13444455 0.91 MAPT (0.53) KCNH2MAPTRXFP1ROCK1MAOB
SCHEMBL14864805 0.89 RXFP1 (0.52) KCNH2MAPTRXFP1ROCK1LMNA
SCHEMBL17067770 0.82 FGFR1 (0.51) KCNH2MAPTRXFP1ROCK1MAOB
SCHEMBL26652765 0.82 KCNH2 (0.46) KCNH2MAPTRXFP1ROCK1LMNA
SCHEMBL10296017 0.80 ROCK1 (0.50) KCNH2MAPTRXFP1ROCK1MAOB
SCHEMBL13183520 0.80 HTR2A (0.45) KCNH2MAPTRXFP1ROCK1LMNA
SCHEMBL5793352 0.80 MAOB (0.46) KCNH2MAPTRXFP1ROCK1MAOB
SCHEMBL4572982 0.79 KCNH2 (0.60) KCNH2MAPTROCK1LMNAEPHX2
SCHEMBL8736804 0.79 ROCK1 (0.54) KCNH2MAPTRXFP1ROCK1MAOB
SCHEMBL4295429 0.79 KCNH2 (0.60) KCNH2CYP19A1BIRC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089573-A1 SUBSTITUTED PYRROLIDINE AMIDES III Grünenthal GmbH (DE) 2022-03-24 US disclosed
US-20200223840-A1 SUBSTITUTED PYRROLIDINE AMIDES III GRUENENTHAL GMBH (DE) 2020-07-16 US disclosed
US-RE34299-E Psychological disorders, neuroleptic agents, analgesics H. LUNDBECK A/S (DK) 1993-06-29 US disclosed
US-4710500-A 1-(4'-fluorophenyl)-3,5-substituted indoles useful in the treatment of psychic disorders and pharmaceutical compositions thereof H. LUNDBECK A/S (DK) 1987-12-01 US disclosed
EP-0200322-A1 Heterocyclic compounds H. LUNDBECK A/S (DK) 1986-11-05 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 (2 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-20200223840-A1 SUBSTITUTED PYRROLIDINE AMIDES III NR3C1, NR3C2, MC2R KCNH2 2896/4885MAPT 4537/4885RXFP1 810/4885
US-20220089573-A1 SUBSTITUTED PYRROLIDINE AMIDES III NR3C1, NR3C2, MC2R KCNH2 2896/4885MAPT 4537/4885RXFP1 810/4885

“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.