SCHEMBL5780048

SCHEMBL5780048

CC1CCN(c2c(-c3c(F)cc(F)cc3F)c(Cl)nc3ncncc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.39
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SSTR2 P30874 1/20 0.32
CHRM4 P08173 1/20 0.32
PTK2B Q14289 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC9A1 P19634 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL5751634 0.87 GRM5 (0.35) GRM5HTR2CHTR2ATP53MAPT
SCHEMBL5751918 0.83 MAPT (0.37) GRM5HTR2CHTR2ATP53MAPT
SCHEMBL5750618 0.79 HRH4 (0.35) GRM5HTR2CHTR2AMEN1KMT2A
SCHEMBL13906840 0.79 GRM5 (0.36) GRM5HTR2CHTR2ACHRM4MEN1
SCHEMBL4718820 0.75
SCHEMBL408899 0.71 GLA (0.33) MAPTSMN1; SMN2LMNA
SCHEMBL81282 0.70 TSHR (0.41) MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL5250886 0.68 GRM5 (0.34) GRM5SMN1; SMN2HTT
SCHEMBL9607522 0.68 MAPK1 (0.34) GRM5
SCHEMBL4639035 0.67 GRM5 (0.34) GRM5SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160811-A1 Aryl-condensed 3-arylpridine compounds and use thereof for controlling pathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2006-07-20 US disclosed
EP-1648890-A2 ARYL-CONDENSED 3-ARYLPYRIDINE COMPOUNDS AND USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-04-26 EP disclosed
WO-2005010000-A2 ARYL-CONDENSED 3-ARYLPYRIDINE COMPOUNDS AND USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2005-02-03 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 (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-20060160811-A1 Aryl-condensed 3-arylpridine compounds and use thereof for controlling pathogenic fungi CBR3, C1R, CBR1 GRM5 987/4885HTR2C 1466/4885HTR2A 2065/4885

“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.