SCHEMBL3063019

SCHEMBL3063019

O=C(CCl)N1CCC(O)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
CYP46A1 Q9Y6A2 1/20 0.45
POLB P06746 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
AVPR1A P37288 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SSTR5 P35346 1/20 0.41
KCNH2 Q12809 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL27967465 0.85 CYP46A1 (0.48) HSD11B1CYP46A1POLBAVPR1ASSTR5
SCHEMBL4634537 0.84 CYP46A1 (0.50) HSD11B1CYP46A1AVPR1ASSTR5KCNH2
SCHEMBL14494792 0.81 FKBP1A (0.60) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL5674743 0.81 HSD11B1 (0.41) HSD11B1POLBDRD2DRD4DRD3
SCHEMBL5315889 0.79 POLB (0.56) POLBDRD3MEN1KMT2AKCNH2
SCHEMBL5234910 0.78 OPRD1 (0.50) AVPR1AMEN1KMT2ASSTR5ALDH1A1
SCHEMBL18711945 0.77 OPRM1 (0.45) HSD11B1CYP46A1AVPR1ASSTR5SMN1; SMN2
SCHEMBL5672765 0.76 KDM1A (0.48) CYP46A1MEN1KMT2ASSTR5
SCHEMBL28914608 0.76 OPRL1 (0.43) SSTR5
SCHEMBL13231734 0.75 OPRM1 (0.43) SSTR5KCNH2UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 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-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 HSD11B1 873/4885CYP46A1 688/4885POLB 2917/4885

“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.