SCHEMBL3045257

SCHEMBL3045257

CN1CCC(=C2c3ccccc3CCc3sc(Br)cc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.67
CHRM1 P11229 6/20 0.67
ADRA1A P35348 5/20 0.67
KCNH2 Q12809 5/20 0.67
ADRA2A P08913 5/20 0.67
DRD1 P21728 5/20 0.67
HTR2A P28223 5/20 0.67
HTR2C P28335 5/20 0.67
HRH1 P35367 5/20 0.67
DRD3 P35462 5/20 0.67
HTR1A P08908 4/20 0.67
HTR2B P41595 4/20 0.67
DRD2 P14416 4/20 0.67
ADRA2B P18089 4/20 0.67
LMNA P02545 4/20 0.67
SLC6A2 P23975 3/20 0.67
SLC6A4 P31645 3/20 0.67
SLC6A3 Q01959 3/20 0.67
OPRK1 P41145 3/20 0.67
ADRA2C P18825 3/20 0.67

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
SCHEMBL3040525 0.82 SETD7 (0.62) CHRM2CHRM1ADRA1AKCNH2ADRA2A
Bromide SCHEMBL3037392 0.82 SETD7 (0.61) CHRM2CHRM1ADRA1AKCNH2ADRA2A
SCHEMBL3040909 0.81 HRH1 (0.59) CHRM2CHRM1ADRA1AKCNH2ADRA2A
SCHEMBL7817056 0.81 SETD7 (1.00) CHRM2CHRM1ADRA1AKCNH2ADRA2A
SCHEMBL3046215 0.81 SETD7 (0.57) CHRM2CHRM1ADRA1AKCNH2ADRA2A
Pizotyline SCHEMBL44122 0.81 DRD1 (1.00) CHRM2CHRM1ADRA1AKCNH2ADRA2A
Pizotyline SCHEMBL29366884 0.81 DRD1 (1.00) CHRM2CHRM1ADRA1AKCNH2ADRA2A
Pizotyline SCHEMBL8771138 0.81 DRD1 (1.00) CHRM2CHRM1ADRA1AKCNH2ADRA2A
Hydrochloric Acid SCHEMBL3041331 0.80 SETD7 (0.59) CHRM2CHRM1ADRA1AKCNH2ADRA2A
SCHEMBL3046177 0.80 MAPK1 (0.60) CHRM2CHRM1ADRA1AKCNH2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460803-B1 METHOD FOR PRODUCING THIABENZOAZULENE PROPIONIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2016-01-13 EP disclosed
EP-2243778-B1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2014-10-29 EP disclosed
US-8536342-B2 Process for producing thiabenzoazulene-propionic acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-8377967-B2 Piperidine derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 US disclosed
EP-2460803-A1 METHOD FOR PRODUCING THIABENZOAZULENE PROPIONIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20120123127-A1 PROCESS FOR PRODUCING THIABENZOAZULENE-PROPIONIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20100331365-A1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 US disclosed
EP-2243778-A1 PIPERIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-10-27 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 (2 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-20100331365-A1 PIPERIDINE DERIVATIVE HRH4, HRH3, HRH2 CHRM2 180/4885CHRM1 205/4885ADRA1A 669/4885
US-20120123127-A1 PROCESS FOR PRODUCING THIABENZOAZULENE-PROPIONIC ACID DERIVATIVE HRH4, HRH2, HRH1 CHRM2 36/4885CHRM1 26/4885ADRA1A 170/4885

“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.