SCHEMBL2640481

SCHEMBL2640481

O=C(O)N1CC=C(c2cccnc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GRM1 Q13255 6/20 0.44
GRM5 P41594 5/20 0.44
HRH1 P35367 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
NPC1 O15118 2/20 0.41
ALOX15 P16050 2/20 0.41
RAB9A P51151 2/20 0.41
CHEK1 O14757 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41

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
SCHEMBL2634853 0.88 PDE10A (0.48) ALDH1A1SMN1; SMN2GRM1GRM5HRH1
SCHEMBL15286283 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GRM1GRM5HRH1
SCHEMBL17363102 0.84 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TRPV1NPC1ALOX15
SCHEMBL30676170 0.82 GRM5 (0.61) GRM1GRM5CCNT1CDK9
SCHEMBL2631187 0.82 GRM5 (0.61) GRM1GRM5CCNT1CDK9
SCHEMBL8313387 0.81 GRM5 (0.57) ALDH1A1SMN1; SMN2GRM1GRM5NPC1
SCHEMBL16992066 0.81 PDE10A (0.46) ALDH1A1SMN1; SMN2CHEK1ROCK2RPS6KA5
SCHEMBL17397683 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL5376595 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL16836089 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GRM1GRM5TRPV1

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
EP-3806855-A1 GLP-1 RECEPTOR AGONISTS AND USES THEREOF Pfizer Inc. (US) 2021-04-21 EP disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
EP-2569306-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 US disclosed
WO-2011143366-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 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-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, HDAC10 ALDH1A1 1892/4885SMN1; SMN2 3659/4885GRM1 1138/4885

“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.