SCHEMBL3552169

SCHEMBL3552169

CCN(CC)C(=O)c1ccc(Br)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.49
HSP90AA1 P07900 4/20 0.47
HSP90AB1 P08238 3/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GFER P55789 1/20 0.43
MAPT P10636 1/20 0.43
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MEN1 O00255 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
SCHEMBL471670 0.85 HPGD (0.51) ALDH1A1CYP3A4HSP90AA1HSP90AB1HPGD
SCHEMBL2170651 0.81 HPGD (0.57) USP2ALDH1A1HSP90AA1HSP90AB1HPGD
SCHEMBL471624 0.81 USP2 (0.54) USP2ALDH1A1HSP90AA1HSP90AB1HPGD
SCHEMBL4500590 0.81 ALDH1A1 (0.74) ALDH1A1CYP3A4HPGDTSHRNPC1
SCHEMBL3555893 0.80 CYP3A4 (0.49) ALDH1A1CYP3A4HSP90AA1HSP90AB1HPGD
SCHEMBL16305344 0.80 CHRM2 (0.56) ALDH1A1CYP3A4HSP90AA1HSP90AB1HPGD
SCHEMBL3341268 0.80 DGAT1 (0.54) USP2ALDH1A1HSP90AA1HSP90AB1HPGD
SCHEMBL30532360 0.79 USP2 (0.51) USP2ALDH1A1HSP90AA1HSP90AB1HPGD
SCHEMBL14009083 0.79 USP2 (0.51) USP2ALDH1A1HSP90AA1HSP90AB1HPGD
SCHEMBL10082156 0.78 USP2 (0.57) USP2ALDH1A1HSP90AA1HSP90AB1HPGD

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS Integral Biosciences Privated Limited (IN) 2022-11-17 US disclosed
WO-2022224166-A1 COMPOUNDS AS LXR AGONISTS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-10-27 WO disclosed
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2012-06-28 US disclosed
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2012-06-28 US disclosed
EP-2399577-A1 Use of N-containing spirocompounds for the enhancement of cognitive function Adolor Corporation (US) 2011-12-28 EP disclosed
US-8071611-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-12-06 US disclosed
US-8071611-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-12-06 US disclosed
US-8022060-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-09-20 US disclosed
US-8022060-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-09-20 US disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed
EP-1558610-B1 SUBSTITUTED AMINOQUINUCLIDINE COMPOUNDS AND THEIR USE AS DELTA-OPIOID RECEPTOR LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7179818-B2 Substituted aminoquinuclidine compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-20 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 US disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US disclosed
US-20040110789-A1 Substituted aminoquinuclidine compounds BOYD ROBERT E (US) 2004-06-10 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 (6 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A USP2 3247/4885ALDH1A1 4097/4885CYP3A4 1105/4885
US-20040110789-A1 Substituted aminoquinuclidine compounds OPRD1, OPRK1, OPRM1 USP2 4050/4885ALDH1A1 724/4885CYP3A4 334/4885
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS NR1H2, NR1H3, NR1H4 USP2 4550/4885ALDH1A1 781/4885CYP3A4 236/4885
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands HTR2B, OPRD1, HTR1B USP2 4780/4885ALDH1A1 2732/4885CYP3A4 1738/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B USP2 3557/4885ALDH1A1 3898/4885CYP3A4 1117/4885
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 USP2 4790/4885ALDH1A1 259/4885CYP3A4 362/4885

“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.