SCHEMBL331792

SCHEMBL331792

C#CC(F)c1cccc2c1CCC2N

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
S1PR1 P21453 4/20 0.33
S1PR2 O95136 2/20 0.33
S1PR4 O95977 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
IL1RN P18510 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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 SCHEMBL7335718 0.98 ACHE (0.39) ACHES1PR1S1PR2S1PR4S1PR3
SCHEMBL8972697 0.98 ACHE (0.36) ACHES1PR1S1PR2S1PR4S1PR3
Hydrochloric Acid SCHEMBL7344687 0.79
SCHEMBL21447846 0.76 ACHE (0.44) ACHES1PR1S1PR2S1PR4S1PR3
SCHEMBL332173 0.70 ACHE (0.37) ACHE
SCHEMBL333101 0.70 ESR1 (0.31)
SCHEMBL1150855 0.70 DRD2 (0.53) ACHECYP11B1CYP11B2DRD2DRD3
SCHEMBL17702023 0.70 DRD2 (0.53) ACHECYP11B1CYP11B2DRD2DRD3
SCHEMBL4666253 0.70 DRD2 (0.53) ACHECYP11B1CYP11B2DRD2DRD3
SCHEMBL193434 0.70 HTR2C (0.45) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301542-A1 EXTENDED RELEASE FORMULATIONS OF RASAGILINE AND USES THEREOF PHARMA TWO B LTD. (IL) 2012-11-29 US claimed
CN-102791258-A Extended release formulations of rasagiline and uses thereof PHARMA TWO B LTD 2012-11-21 CN claimed
EP-1686973-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIOVASCULAR DISORDERS AND DISEASES TECHNION RES & DEV FOUNDATION (IL) 2009-03-25 EP claimed
US-20080090915-A1 METHOD FOR PREVENTING OR ATTENUATING ANTHRACYCLINE-INDUCED CARDIOTOXICITY TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2008-04-17 US claimed
US-20070082958-A1 Methods for treatment of renal failure TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2007-04-12 US claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-20060287401-A1 Methods for treatment of cardiovascular disorders and diseases TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2006-12-21 US claimed
EP-1686973-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIOVASCULAR DISORDERS AND DISEASES TECHNION RESEARCH AND DEVELOPMENT FOUNDATION, LTD. (IL) 2006-08-09 EP claimed
US-20050171210-A1 Compositions and methods for treatment of cardiovascular disorders and diseases TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2005-08-04 US claimed
WO-2005051371-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIOVASCULAR DISORDERS AND DISEASES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2005-06-09 WO claimed
CN-1038928-C Mono-fluorinated derivatives of N-propargyl-1-aminoindan and their use as inhibitors of monoamine oxidase TEVA PHARMA (NL) 1998-07-01 CN claimed
EP-0538134-B1 Mono-fluorinated derivatives of N-propargyl-1-aminoindan and their use as inhibitors of monoamine oxidase TEVA PHARMA (IL) 1997-03-12 EP claimed
US-5486541-A FOR TREATING PARKINSON*S DISEASE, MEMORY DISORDERS, ALZHEIMER*S DISEASE, DEPRESSION OR HYPERACTIVE SYNDROME TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-01-23 US claimed
EP-0538134-A2 Mono-fluorinated derivatives of N-propargyl-1-aminoindan and their use as inhibitors of monoamine oxidase TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1993-04-21 EP claimed
JP-5262701-A None JP disclosed
EP-3517103-A1 EXTENDED RELEASE FORMULATIONS OF RASAGILINE AND USES THEREOF Pharma Two B Ltd. (IL) 2019-07-31 EP disclosed
JP-H05262701-A MONOFLUORINATED DERIVATIVE OF N-PROPARGYL-1-AMINOINDAN, MEDICINE USING THE SAME AS EFFECTIVE COMPONENT, AND PRODUCTION OF THE DERIVATIVE TEVA PHARMACEUT IND LTD 1993-10-12 JP disclosed
CN-1073427-A Phenyl ring list fluorizated N-propargyl-1-aminoidan reaches the selective depressant as monoamine oxidase (MAO) TEVA PHARMA (IL) 1993-06-23 CN disclosed
EP-0538134-A2 Mono-fluorinated derivatives of N-propargyl-1-aminoindan and their use as inhibitors of monoamine oxidase TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1993-04-21 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ACHE 639/4885S1PR1 2379/4885S1PR2 2341/4885

“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.