SCHEMBL4869220

SCHEMBL4869220

CC(C(=O)c1ccccc1)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.53
SIGMAR1 Q99720 1/20 0.53
CHRNB2 P17787 5/20 0.50
SLC6A2 P23975 5/20 0.50
CHRNB4 P30926 5/20 0.50
CHRNA3 P32297 5/20 0.50
CHRNA4 P43681 5/20 0.50
SLC6A3 Q01959 5/20 0.50
CHRNA1 P02708 4/20 0.50
CHRNG P07510 4/20 0.50
CHRNB1 P11230 4/20 0.50
CHRND Q07001 4/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
SLC6A4 P31645 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
LMNA P02545 1/20 0.49
USP2 O75604 1/20 0.47

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
Hydrochloric Acid SCHEMBL27492948 0.98 OPRD1 (0.52) OPRD1SIGMAR1CHRNB2SLC6A2CHRNB4
SCHEMBL11037118 0.84 SLC6A2 (0.67) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL28360223 0.84 SLC6A2 (0.67) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL3800395 0.84 ADRB2 (0.42) OPRD1SIGMAR1CHRNB2SLC6A2CHRNB4
SCHEMBL7094264 0.84 OPRD1 (0.52) OPRD1SIGMAR1CHRNB2SLC6A2CHRNB4
SCHEMBL1072701 0.83 SLC6A2 (0.69) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL28057449 0.83 SLC6A2 (0.65) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL28598873 0.83 SIGMAR1 (0.56) OPRD1SIGMAR1SLC6A2SLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL22614730 0.83 SLC6A2 (0.65) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL10728832 0.81 SLC6A2 (0.68) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103102332-B Chalcone compound containing piperazine ring and preparation and application thereof UNIV ZHEJIANG 2015-05-27 CN claimed
CN-103102332-A Chalcone compound containing piperazine ring and preparation and application thereof UNIV ZHEJIANG 2013-05-15 CN claimed
US-7326710-B2 Aralkyl formyl-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2008-02-05 US claimed
US-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2005-07-14 US claimed
EP-1553092-A1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT Shanghai Institute of Pharmaceutical Industry (CN) 2005-07-13 EP claimed
CN-1150176-C Aralkylone pipeazine derivative and its application �Ϻ�ҽҩ��ҵ�о�Ժ 2004-05-19 CN claimed
CN-1381449-A Aralkylone pipeazine derivative and its application SHANGHAI ACADEMY OF MEDICAL IN (CN) 2002-11-27 CN claimed
CN-1381448-A Aralkylformylalkyl piperazine derivative and its application as brain nerve protector SHANGHAI ACADEMY OF MEDICAL IN (CN) 2002-11-27 CN claimed
CN-103102332-B Chalcone compound containing piperazine ring and preparation and application thereof UNIV ZHEJIANG 2015-05-27 CN disclosed
CN-103102331-B Pharmaceutical application of chalcone compound containing piperazine ring UNIV ZHEJIANG 2015-05-27 CN disclosed
CN-103102331-A Pharmaceutical application of chalcone compound containing piperazine ring UNIV ZHEJIANG 2013-05-15 CN disclosed
CN-103102332-A Chalcone compound containing piperazine ring and preparation and application thereof UNIV ZHEJIANG 2013-05-15 CN disclosed
US-7326710-B2 Aralkyl formyl-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2008-02-05 US disclosed
US-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2005-07-14 US disclosed
EP-1553092-A1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT Shanghai Institute of Pharmaceutical Industry (CN) 2005-07-13 EP disclosed
CN-1150176-C Aralkylone pipeazine derivative and its application �Ϻ�ҽҩ��ҵ�о�Ժ 2004-05-19 CN disclosed
CN-1381449-A Aralkylone pipeazine derivative and its application SHANGHAI ACADEMY OF MEDICAL IN (CN) 2002-11-27 CN disclosed
CN-1381448-A Aralkylformylalkyl piperazine derivative and its application as brain nerve protector SHANGHAI ACADEMY OF MEDICAL IN (CN) 2002-11-27 CN disclosed
EP-0250193-A2 Photoreactive lenses GEC-MARCONI LIMITED (GB) 1987-12-23 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 (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-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent GAP43, FABP7, AGK OPRD1 2710/4885SIGMAR1 3862/4885CHRNB2 442/4885

“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.