SCHEMBL1643399

SCHEMBL1643399

C[C@H]1C(=O)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PARP1 P09874 1/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50

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
SCHEMBL13073095 1.00 HTR2C (0.52) HTR2CSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL3029470 0.92 HTR2C (0.53) HTR2CSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL31700094 0.86 HTR2C (0.50) HTR2CPARP1
SCHEMBL30523584 0.86 HTR2C (0.55) HTR2CSMN1; SMN2NPC1RAB9APSEN1
SCHEMBL19271743 0.86 HTR2C (0.55) HTR2CSMN1; SMN2NPC1RAB9APSEN1
SCHEMBL21872248 0.86 HTR2C (0.55) HTR2CSMN1; SMN2NPC1RAB9APSEN1
SCHEMBL2391599 0.84 AOC3 (0.52) HTR2CSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL812802 0.84 SMN1; SMN2 (0.55) HTR2CSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL2390727 0.84 PSEN1 (0.51) HTR2CSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL3823845 0.83 NPC1 (0.50) HTR2CSMN1; SMN2CYP2C19NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098507-B1 Cyclic amine compound as androgen receptor modulator TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
US-8420694-B2 Pyrrolidin-2-one derivatives as androgen receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-16 US disclosed
US-8420694-B2 Pyrrolidin-2-one derivatives as androgen receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-16 US disclosed
CN-101821235-B Pyrrolidin-2 -one derivatives as androgen receptor modulator TAKEDA PHARMACEUTICAL 2012-11-14 CN disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
US-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
US-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
US-7834051-B2 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-16 US disclosed
US-7834051-B2 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-16 US disclosed
US-7834051-B2 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-16 US disclosed
CN-101821235-A Pyrrolidin-2 -one derivatives as androgen receptor modulator TAKEDA PHARMACEUTICAL 2010-09-01 CN disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
WO-2009020234-A2 PYRROLIDIN-2 -ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 WO disclosed
US-20090042967-A1 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US disclosed
US-20090042967-A1 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US disclosed
US-20090042967-A1 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 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 (3 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-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR AR, NR5A1, SHBG HTR2C 535/4885SMN1; SMN2 4806/4885CYP2C19 1102/4885
US-20090042967-A1 Cyclic amine compounds SHBG, FSHR, ACP3 HTR2C 2014/4885SMN1; SMN2 791/4885CYP2C19 2276/4885
US-20100087506-A1 CYCLIC AMINE COMPOUND AR, FSHR, NR5A1 HTR2C 112/4885SMN1; SMN2 3154/4885CYP2C19 604/4885

“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.