SCHEMBL5751634

SCHEMBL5751634

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.35
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 3/20 0.32
SSTR4 P31391 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRM4 P08173 1/20 0.32
PTK2B Q14289 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
RPS6KB1 P23443 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL5780048 0.87 GRM5 (0.39) GRM5HTR2CHTR2ATP53MAPT
SCHEMBL5750618 0.79 HRH4 (0.35) GRM5HTR2CHTR2ASMN1; SMN2MEN1
SCHEMBL5751918 0.79 MAPT (0.37) GRM5HTR2CHTR2ATP53MAPT
SCHEMBL5752259 0.75 IDO1 (0.32)
SCHEMBL5751959 0.73 ACLY (0.30)
SCHEMBL13906840 0.66 GRM5 (0.36) GRM5HTR2CHTR2ACHRM4SMN1; SMN2
SCHEMBL4720814 0.65
SCHEMBL4718820 0.62
SCHEMBL976406 0.62 LMNA (0.47) TP53MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL4815038 0.62 TSHR (0.42) TP53MAPTSMN1; SMN2MEN1RAB9A

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.