SCHEMBL2069846

SCHEMBL2069846

Clc1ccc(-c2ccc(COC3CCCNC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
SLC6A4 P31645 7/20 0.47
SLC6A2 P23975 5/20 0.47
SLC6A3 Q01959 5/20 0.47
KCNH2 Q12809 4/20 0.47
REN P00797 2/20 0.45
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13886623 0.96 CHRNB2 (0.58) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL14256259 0.87 CHRNB2 (0.59) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL654966 0.86 SLC6A4 (0.60) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL654491 0.86 SLC6A4 (0.60) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL654490 0.86 SLC6A4 (0.60) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL5811325 0.85 SLC6A4 (0.58) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL14256237 0.81 CHRM2 (0.58) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL17533948 0.81 CHRNB2 (0.55) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL3161073 0.80 CHRNB2 (0.69) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL3493677 0.80 CHRNB2 (0.69) CHRNB2CHRNA4CHRM2CHRM1CHRM3

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
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 EP disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 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-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative PPARA, PPARG, PPARD CHRNB2 2812/4885CHRNA4 1509/4885CHRM2 969/4885

“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.