SCHEMBL4553372

SCHEMBL4553372

C=CC(CN)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
HTR2A P28223 3/20 0.52
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
HRH1 P35367 2/20 0.43
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL19233902 1.00 TAAR1 (0.52) TAAR1HTR2ACHRNB2CHRNA4HRH1
Hydrochloric Acid SCHEMBL9344089 0.98 TAAR1 (0.50) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL28644783 0.83 HRH1 (0.56) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL6016109 0.79 CYP2C19 (0.39) TAAR1HTR2AHRH1DPP4F2
SCHEMBL6720257 0.78 TAAR1 (0.52) TAAR1SLC6A3SLC6A2CYP2C19CYP1A2
SCHEMBL18459577 0.78 IDO1 (0.39) TAAR1CYP2C9
SCHEMBL15393365 0.77 CYP2C19 (0.38) TAAR1HTR2AHRH1DPP4F2
SCHEMBL14654862 0.77 CYP2C19 (0.42) TAAR1HTR2ACYP2C19CYP3A4CYP2D6
SCHEMBL9921450 0.77 LMNA (0.46) TAAR1HTR2AHRH1CYP2C19
SCHEMBL11773608 0.77 CYP2C19 (0.42) TAAR1HTR2AHRH1CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283273-A1 NON-VIRAL DELIVERY AGENTS FROM POLYELECTROLYTES BASED ON CYCLOPROPENIUM IONS, THEIR SYNTHESES, AND USES THEREOF NATIONAL SCIENCE FOUNDATION 2021-09-16 US claimed
CN-109962184-A A kind of gel and preparation method thereof 深圳市天时伟业新能源有限公司 2019-07-02 CN claimed
WO-2018035435-A1 NON-VIRAL DELIVERY AGENTS FROM POLYELECTROLYTES BASED ON CYCLOPROPENIUM IONS, THEIR SYNTHESES, AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-02-22 WO claimed
CN-203528010-U Electrode lug glue for soft-packing lithium ion battery and electrode lug AMPEREX TECHNOLOGY LTD 2014-04-09 CN claimed
EP-1633471-B1 PERCARBOXYLIC ACID-BASED POLYELECTROLYTE CAPSULE SYSTEM HAVING A LONG SHELF LIFE HENKEL AG & CO KGAA (DE) 2009-03-25 EP claimed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0284081-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1994-08-10 EP claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
EP-0250264-A1 Irreversible dopamine-Beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-12-23 EP claimed
EP-3257583-B1 CHARGE REVERSIBLE ION EXCHANGE RESINS, CHROMATOGRAPHY COLUMN, METHOD, AND SYSTEM THEREOF DIONEX CORP (US) 2021-09-22 EP disclosed
US-20210283273-A1 NON-VIRAL DELIVERY AGENTS FROM POLYELECTROLYTES BASED ON CYCLOPROPENIUM IONS, THEIR SYNTHESES, AND USES THEREOF NATIONAL SCIENCE FOUNDATION 2021-09-16 US disclosed
CN-111621863-A Processing technology of functional nano regenerated fiber 苏州新民丝绸有限公司 2020-09-04 CN disclosed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO 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 (3 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-20210283273-A1 NON-VIRAL DELIVERY AGENTS FROM POLYELECTROLYTES BASED ON CYCLOPROPENIUM IONS, THEIR SYNTHESES, AND USES THEREOF PARG, TET1, PUF60 TAAR1 1888/4885HTR2A 4443/4885CHRNB2 4486/4885
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH TAAR1 790/4885HTR2A 2710/4885CHRNB2 650/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH TAAR1 502/4885HTR2A 2628/4885CHRNB2 604/4885

“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.