SCHEMBL3076541

SCHEMBL3076541

O=C(OCc1ccccc1)N1CCC(O)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RORC P51449 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP46A1 Q9Y6A2 2/20 0.50
KDM1A O60341 3/20 0.49
CYP2C19 P33261 1/20 0.49
AVPR1A P37288 1/20 0.48
GRIN2B Q13224 1/20 0.47
OPRD1 P41143 3/20 0.46
OPRK1 P41145 2/20 0.46
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44

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
SCHEMBL4830010 0.92 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL471541 0.85 RORC (0.49) MEN1KMT2ANPSR1RORCSMN1; SMN2
SCHEMBL3233712 0.85 KDM1A (0.54) MEN1KMT2ANPSR1RORCSMN1; SMN2
SCHEMBL5234910 0.85 OPRD1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8696969 0.84 RORC (0.58) MEN1KMT2ANPSR1RORCSMN1; SMN2
SCHEMBL6773206 0.83 MEN1 (0.58) MEN1KMT2ANPSR1RORCSMN1; SMN2
SCHEMBL2621377 0.82 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5358506 0.81 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2770527 0.81 RORC (0.48) MEN1KMT2ANPSR1RORCSMN1; SMN2
SCHEMBL16042582 0.81 RORC (0.57) MEN1KMT2ANPSR1RORCSMN1; SMN2

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-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
EP-1931348-A4 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-08-12 EP disclosed
EP-1931348-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-06-18 EP disclosed
WO-2007073432-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-06-28 WO 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 MEN1 3626/4885KMT2A 4350/4885NPSR1 799/4885

“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.