SCHEMBL5017571

SCHEMBL5017571

NCc1cc(F)c(N2CCCCCC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ RAD52 P43351 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ ALDH1A1 P00352 7/20 0.41
▸ HTT P42858 2/20 0.41
▸ PRMT6 Q96LA8 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA13 Q8N1Q1 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAP2K7 O14733 1/20 0.33
▸ KDM4E B2RXH2 2/20 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
SCHEMBL4022214 0.81 NCF1 (0.46) KMT2ARAD52RXFP1ALDH1A1CA12
SCHEMBL21444532 0.81 ALDH1A1 (0.41) KMT2ARAD52RXFP1ALDH1A1HTT
SCHEMBL25190301 0.80 KMT2A (0.39) KMT2ARAD52RXFP1ALDH1A1HTT
SCHEMBL238377 0.78 ALDH1A1 (0.43) KMT2AALDH1A1HTTCA12CA1
SCHEMBL4027973 0.77 ALDH1A1 (0.50) KMT2AALDH1A1HTTPRMT6TRPV1
SCHEMBL18876369 0.77 ALDH1A1 (0.38) KMT2ARAD52RXFP1ALDH1A1HTT
SCHEMBL4029065 0.77 ALDH1A1 (0.50) KMT2AALDH1A1HTTPRMT6TRPV1
SCHEMBL4023577 0.77 ALDH1A1 (0.50) KMT2AALDH1A1HTTPRMT6TRPV1
SCHEMBL21593841 0.76 ALDH1A1 (0.38) KMT2ARAD52RXFP1ALDH1A1HTT
SCHEMBL9832077 0.74 RAB9A (0.46) ALDH1A1HTTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660455-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-15 — — EP disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 — — US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 — — US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 — — 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 (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-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 KMT2A 2965/4885RAD52 3216/4885RXFP1 81/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 KMT2A 3095/4885RAD52 2946/4885RXFP1 92/4885

“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.

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