SCHEMBL1012774

SCHEMBL1012774

C=CC(c1ccccc1)(c1ccccc1)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.41
HTR3E A5X5Y0 4/20 0.41
HTR3B O95264 4/20 0.41
HTR3A P46098 4/20 0.41
HTR3D Q70Z44 4/20 0.41
HTR3C Q8WXA8 4/20 0.41
ADRB1 P08588 3/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 2/20 0.36
LMNA P02545 2/20 0.36
HRH1 P35367 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36

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
SCHEMBL4972407 0.80 CYP2B6 (0.35) CHRM2CHRM1ALDH1A1TSHRKCNH2
SCHEMBL11757825 0.76 SIGMAR1 (0.41) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL569963 0.75 SIGMAR1 (0.48) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9090858 0.73 SIGMAR1 (0.47) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8411629 0.73 SIGMAR1 (0.47) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2431449 0.73 CYP2B6 (0.43) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27513879 0.73 CHRM2 (0.47) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8579465 0.72 MAOA (0.36) CYP2B6
SCHEMBL9202300 0.72 CHRM2 (0.46) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2697321 0.72 CYP2B6 (0.66) SIGMAR1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492369-B2 DRUG ABRUSE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US claimed
US-20020019399-A1 Therapeutic agents for drug dependence SANTEN PHARMACEUTICAL CO. LTD. (JP) 2002-02-14 US claimed
EP-1130018-A1 DRUG DEPENDENCE REMEDIES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP claimed
JP-10120569-A None JP disclosed
JP-7089949-A None JP disclosed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
EP-1988902-B1 PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-23 EP disclosed
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US disclosed
EP-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP disclosed
US-20110269775-A1 Piperazine derivatives M'S SCIENCE CORPORATION 2011-11-03 US disclosed
US-20110218205-A1 Piperazine derivatives M'S SCIENCE CORP. 2011-09-08 US disclosed
EP-1130018-A1 DRUG DEPENDENCE REMEDIES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
EP-1130018-A1 DRUG DEPENDENCE REMEDIES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
EP-0711763-B1 1,4-DI(PHENYLALKYL)PIPERAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2000-10-18 EP disclosed
JP-2000204041-A THERAPEUTIC AGENT FOR DRUG DEPENDENCE SANTEN PHARMACEUT CO LTD 2000-07-25 JP disclosed
WO-2000027833-A1 DRUG DEPENDENCE REMEDIES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2000-05-18 WO disclosed
JP-H10120569-A PREVENTIVE AND THERAPEUTIC AGENT FOR EYE DISEASE SANTEN PHARMACEUT CO LTD 1998-05-12 JP disclosed
US-5736546-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-04-07 US disclosed
EP-0711763-A1 NOVEL 1,4-DI(PHENYLALKYL)PIPERAZINE DERIVATIVE SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-05-15 EP disclosed
JP-H0789949-A NOVEL 1,4-(DIPHENYLALKYL)PIPERAZINE DERIVATIVE SANTEN PHARMACEUT CO LTD 1995-04-04 JP 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 (4 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-20110269775-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885HTR3E 582/4885HTR3B 212/4885
US-20020019399-A1 Therapeutic agents for drug dependence ADH1A, ADH1C, ADH5 SIGMAR1 15/4885HTR3E 1203/4885HTR3B 775/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 SIGMAR1 1/4885HTR3E 274/4885HTR3B 89/4885
US-20110218205-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRM1 SIGMAR1 1/4885HTR3E 834/4885HTR3B 232/4885

“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.