SCHEMBL9593288

SCHEMBL9593288

C=CC(c1ccccc1)C(N)CN

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.46
HTR2A P28223 3/20 0.46
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
HRH1 P35367 2/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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 SCHEMBL9769538 0.98 TAAR1 (0.45) TAAR1HTR2ACHRNB2CHRNA4DPP4
SCHEMBL29173019 0.81 TAAR1 (0.33) TAAR1HTR2ALMNA
SCHEMBL19292352 0.78 LMNA (0.48) TAAR1HTR2ADPP4F2LMNA
SCHEMBL4631655 0.77 DPP4 (0.44) TAAR1HTR2ADPP4F2LMNA
SCHEMBL19165393 0.75 LMNA (0.48) TAAR1DPP4F2LMNA
SCHEMBL19711876 0.75 LMNA (0.48) TAAR1DPP4F2LMNA
SCHEMBL9602487 0.74 CSNK1E (0.47) HTR2ALMNA
Hydrochloric Acid SCHEMBL9147182 0.73 ALDH1A1 (0.50) TAAR1DPP4F2LMNA
SCHEMBL19233902 0.72 TAAR1 (0.52) TAAR1HTR2ACHRNB2CHRNA4DPP4
SCHEMBL4553372 0.72 TAAR1 (0.52) TAAR1HTR2ACHRNB2CHRNA4DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451753-A1 In the ethylenic moiety substituted phenylalkylethylenediamine-platinum (II or IV) derivatives and phenylalkyl-ethylenediamines ASTA Medica Aktiengesellschaft (DE) 1991-10-16 EP claimed
CN-111269163-B Method for removing gamma butyrolactone in N-methyl pyrrolidone 江苏盈天环保科技有限公司 2022-11-29 CN disclosed
US-11026419-B2 Silver- and copper-chelating ionic liquids, polymers, and gels, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-08 US disclosed
CN-111269163-A Method for removing gamma butyrolactone in N-methyl pyrrolidone 江苏盈天化学有限公司 2020-06-12 CN disclosed
US-20190327964-A1 SILVER- AND COPPER-CHELATING IONIC LIQUIDS, POLYMERS, AND GELS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2019-10-31 US disclosed
US-5238955-A Anticarcinogenic agents ASTA PHARMA AG (DE) 1993-08-24 US disclosed
US-5238955-A Anticarcinogenic agents ASTA PHARMA AG (DE) 1993-08-24 US disclosed
US-5194644-A Antitumor agents; treatment of leukemia ASTA PHARMA AG (DE) 1993-03-16 US disclosed
EP-0451753-A1 In the ethylenic moiety substituted phenylalkylethylenediamine-platinum (II or IV) derivatives and phenylalkyl-ethylenediamines ASTA Medica Aktiengesellschaft (DE) 1991-10-16 EP disclosed
US-4885327-A REACTION PRODUCT OF POLYVINYLBENZYL HALIDE WITH AMINE; DETOXIFICATION SOUTHWEST RESEARCH INSTITUTE (US) 1989-12-05 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 (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-11026419-B2 Silver- and copper-chelating ionic liquids, polymers, and gels, and uses thereof SOD1, AOC1, SOD3 TAAR1 3417/4885HTR2A 4832/4885CHRNB2 4880/4885
US-20190327964-A1 SILVER- AND COPPER-CHELATING IONIC LIQUIDS, POLYMERS, AND GELS, AND USES THEREOF SOD1, AOC1, SOD3 TAAR1 3417/4885HTR2A 4832/4885CHRNB2 4880/4885

“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.