SCHEMBL227332

SCHEMBL227332

CC(C)(C)[Si](C)(C)OC1CCc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.41
SRD5A1 P18405 1/20 0.39
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ADRA2A P08913 1/20 0.33
CAMK2A Q9UQM7 1/20 0.32
KDM1A O60341 2/20 0.31
IDO1 P14902 1/20 0.31
APLNR P35414 1/20 0.31

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
SCHEMBL20270050 0.90 HTR2A (0.43) SLC6A4SRD5A1HTR2AHTR2CHTR2B
SCHEMBL16146473 0.81 POLB (0.39)
SCHEMBL29700361 0.80 LRRK2 (0.48)
SCHEMBL22056586 0.79 IDO1 (0.53) HTR2AHTR2CHTR2BIDO1
SCHEMBL18106445 0.79 KDM1A (0.34) KDM1A
SCHEMBL28327803 0.78 CMA1 (0.37)
SCHEMBL20449129 0.78 ADRA2A (0.47) ADRA2AAPLNR
SCHEMBL20449128 0.78 ADRA2A (0.47) ADRA2AAPLNR
SCHEMBL25622 0.78 ALDH1A1 (0.32)
SCHEMBL25621 0.78 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771332-B1 Thiophen and thiazol sulfonamid derivatives as HIV protease inhibitors for the treatment of AIDS MERCK CANADA INC (CA) 2016-06-29 EP disclosed
US-9133157-B2 HIV protease inhibitors MERCK CANADA INC. (CA) 2015-09-15 US disclosed
US-9067921-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2015-06-30 US disclosed
US-9067921-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2015-06-30 US disclosed
US-9067921-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2015-06-30 US disclosed
US-20140303171-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-10-09 US disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2014-06-05 US disclosed
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2014-06-05 US disclosed
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2014-06-05 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION 2009-08-06 US disclosed
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION 2009-08-06 US disclosed
EP-1734966-A4 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORP (US) 2009-04-22 EP disclosed
WO-2009038411-A2 BETA-SECRETASE INHIBITING COMPOUNDS HAVING OXO-DIHYDRO-PYRAZOLE MOIETY LG LIFE SCIENCES, LTD. (KR) 2009-03-26 WO disclosed
EP-1734966-A2 PIPERIZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS Incyte Corporation (US) 2006-12-27 EP disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
US-20050261310-A1 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION 2005-11-24 US disclosed
WO-2005101838-A2 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2005-10-27 WO disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP 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 (5 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-20140303171-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, PRSS3 SLC6A4 3893/4885SRD5A1 1117/4885HTR2A 4704/4885
US-20050261310-A1 Piperazinylpiperidine derivatives as chemokine receptor antagonists CCR5, CCR2, CXCR5 SLC6A4 1798/4885SRD5A1 2001/4885HTR2A 565/4885
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 SLC6A4 1798/4885SRD5A1 2001/4885HTR2A 565/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 SLC6A4 4558/4885SRD5A1 130/4885HTR2A 4425/4885
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 SLC6A4 1798/4885SRD5A1 2001/4885HTR2A 565/4885

“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.