SCHEMBL49464

SCHEMBL49464

CC(=O)NCCC1CCCN1C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.51
ALDH1A1 P00352 1/20 0.49
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
CHRM4 P08173 1/20 0.44
CYP1A2 P05177 1/20 0.43
POLR1A O95602 1/20 0.41
CHRM3 P20309 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL6395379 0.86 ACKR3 (0.51) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL7963540 0.85 ALDH1A1 (0.48) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL9887516 0.85 ACKR3 (0.50) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL424247 0.85 ALDH1A1 (0.48) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL12156865 0.83 ACKR3 (0.52) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL12506716 0.82 FAP (0.44) ALDH1A1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL8320704 0.82 FAP (0.44) ALDH1A1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL12155765 0.82 DPP4 (0.46) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL12788561 0.82 ACKR3 (0.46) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL13817510 0.82 FPR3 (0.47) ACKR3ALDH1A1FPR3FPR2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 WO disclosed
US-10259796-B2 Oxaspiro[2.5]octane derivatives and analogs ZAFGEN, INC. (US) 2019-04-16 US disclosed
US-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170044122-A1 Oxaspiro[2.5]Octane Derivatives and Analogs ZAFGEN, INC. (US) 2017-02-16 US disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-8912185-B2 Use of glutaric acid derivatives or the pharmaceutically acceptable salts thereof as anti-arrhythmic agents Obschestvo S Ogranichennoi Otvetstvennostyu “Pharmenterprises” (RU) 2014-12-16 US disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
US-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents SYNGENTA CROP PROTECTION, INC. 2007-02-08 US disclosed
US-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents SYNGENTA CROP PROTECTION, INC. 2007-02-08 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (12 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 ACKR3 7/4885ALDH1A1 997/4885FPR3 236/4885
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ACKR3 2614/4885ALDH1A1 750/4885FPR3 4330/4885
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B ACKR3 3292/4885ALDH1A1 4104/4885FPR3 3878/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 ACKR3 14/4885ALDH1A1 451/4885FPR3 26/4885
US-10259796-B2 Oxaspiro[2.5]octane derivatives and analogs OXER1, ACOX3, OXGR1 ACKR3 1071/4885ALDH1A1 411/4885FPR3 523/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 ACKR3 3386/4885ALDH1A1 351/4885FPR3 4156/4885
US-20170044122-A1 Oxaspiro[2.5]Octane Derivatives and Analogs OXER1, ACOX3, OXGR1 ACKR3 1071/4885ALDH1A1 411/4885FPR3 523/4885
US-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents CYP1A1, NAT1, AKR7A2 ACKR3 4865/4885ALDH1A1 422/4885FPR3 2737/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK ACKR3 1598/4885ALDH1A1 4754/4885FPR3 2126/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ACKR3 1214/4885ALDH1A1 1079/4885FPR3 957/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C ACKR3 3276/4885ALDH1A1 4151/4885FPR3 3897/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ACKR3 1580/4885ALDH1A1 1563/4885FPR3 2291/4885

“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.