SCHEMBL2485846

SCHEMBL2485846

Fc1nccnc1C1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.38
MPO P05164 1/20 0.37
RPS6KA3 P51812 1/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA1 P02708 1/20 0.34
ESR1 P03372 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
CHRNA2 Q15822 1/20 0.34
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL1304461 0.89 RPS6KA3 (0.40) RPS6KA3HTR1ASLC6A2SLC6A4
SCHEMBL9901829 0.78 HTR3A (0.38) HTR3ACHRNB4CHRNA3CHRNA1ESR1
SCHEMBL9900635 0.78 HTR3A (0.38) HTR3ACHRNB4CHRNA3CHRNA1ESR1
SCHEMBL30673624 0.78 HTR3A (0.38) HTR3ACHRNB4CHRNA3CHRNA1ESR1
SCHEMBL28558973 0.78 OPRL1 (0.32)
Trifluoroacetic Acid SCHEMBL1302710 0.76 HRH4 (0.39) RPS6KA3
SCHEMBL29889329 0.74 HTR1A (0.49) HTR1ASLC6A2SLC6A4
SCHEMBL7937826 0.72 NISCH (0.36)
SCHEMBL30463490 0.71 MPO (0.41) HTR3AMPOCHRNB4CHRNA3CHRNB2
SCHEMBL28309282 0.71 MPO (0.41) HTR3AMPOCHRNB4CHRNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
EP-2376455-B1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
EP-2376455-B1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
EP-2376455-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2011-10-19 EP disclosed
WO-2010077992-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-07-08 WO disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 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 (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-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D HTR3A 936/4885MPO 330/4885RPS6KA3 913/4885

“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.