SCHEMBL4743515

SCHEMBL4743515

NC1CCCc2c(O)cccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
DRD2 P14416 2/20 0.46
DRD3 P35462 1/20 0.46
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP4B1 P13584 1/20 0.42

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
SCHEMBL12674518 1.00 ADRA2A (0.50) ADRA2ADRD2DRD3BCL2L1BAD
Hydrochloric Acid SCHEMBL13269175 0.98 ADRA2A (0.49) ADRA2ADRD2DRD3BCL2L1BAD
Bromide SCHEMBL10357248 0.98 ADRA2A (0.49) ADRA2ADRD2DRD3BCL2L1BAD
SCHEMBL4202381 0.89 DRD2 (0.53) DRD2DRD3ESR1ESR2CYP1A1
SCHEMBL13573563 0.89 DRD2 (0.53) DRD2DRD3ESR1ESR2CYP1A1
SCHEMBL8411065 0.83 ADRA2A (0.51) ADRA2A
SCHEMBL454127 0.79 ADRA2A (0.51) ADRA2ADRD2BCL2L1BADESR1
SCHEMBL3585626 0.79 ADRA2A (0.43) ADRA2ATAS1R3TAS1R1TAS1R2
SCHEMBL1150666 0.79 ADRA2A (0.43) ADRA2ATAS1R3TAS1R1TAS1R2
SCHEMBL7327615 0.79 ADRA2A (0.51) ADRA2ADRD2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103906514-A Compositions and methods for treating metabolic disorders BIOMED VALLEY DISCOVERIES INC 2014-07-02 CN claimed
CN-1929829-B (S) -2-N-propylamino-5-hydroxytetraline as D3 agonist SANOL ARZNEI SCHWARZ GMBH 2010-12-15 CN claimed
CN-1929829-A (S) -2-N-propylamino-5-hydroxytetraline as D3 agonist SANOL ARZNEI SCHWARZ GMBH (DE) 2007-03-14 CN claimed
EP-0463119-A4 SUBSTITUTED 2-AMINOTETRALINS 1992-01-22 EP claimed
EP-0463119-A1 use of SUBSTITUTED 2-AMINOTETRALINS for the preparation of a medicament for inducing anorexia or weight loss. Whitby Research Incorporated (US) 1992-01-02 EP claimed
US-11198685-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2021-12-14 US disclosed
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2020-10-01 US disclosed
US-10683283-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2020-06-16 US disclosed
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 US disclosed
CN-103906514-A Compositions and methods for treating metabolic disorders BIOMED VALLEY DISCOVERIES INC 2014-07-02 CN disclosed
CN-101534809-B Use of substituted 2-amino-1, 2,3, 4-tetrahydronaphthalenes for producing medicaments for the prophylaxis, alleviation and/or treatment of various types of pain UCB PHARMA GMBH 2013-03-13 CN disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US disclosed
CN-1897935-A Use of rotigotine for treatment or prevention of dopaminergic neurone loss SANOL ARZNEI SCHWARZ GMBH (DE) 2007-01-17 CN disclosed
EP-0253257-B1 SUBSTITUTED AMINO-5,6,7,8-TETRAHYDRONAPHTHYL-OXYACETIC ACIDS, METHOD FOR THEIR PREPARATION AND THEIR APPLICATION AS MEDICAMENTS BAYER AG (DE) 1990-11-14 EP disclosed
US-4921998-A ANTICOAGULANTS, ANTIISCHEMIC AGENTS, ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
EP-0179667-B1 N6-SUBSTITUTED ADENOSINES WARNER-LAMBERT COMPANY (US) 1989-12-27 EP disclosed
US-4868331-A ANTICOAGULANTS, ANTIATHEROSCLEROTIC, ANTIISCHEMIC BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
US-4791103-A HYPOTENSIVE AGENTS, PSYCHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1988-12-13 US disclosed
EP-0253257-A2 Substituted amino-5,6,7,8-tetrahydronaphthyl-oxyacetic acids, method for their preparation and their application as medicaments BAYER AG (DE) 1988-01-20 EP disclosed
EP-0179667-A2 N6-substituted adenosines WARNER-LAMBERT COMPANY (US) 1986-04-30 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 (5 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-10683283-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R ADRA2A 3051/4885DRD2 3348/4885DRD3 2618/4885
US-11198685-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R ADRA2A 3051/4885DRD2 3348/4885DRD3 2618/4885
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R ADRA2A 3051/4885DRD2 3348/4885DRD3 2618/4885
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 ADRA2A 245/4885DRD2 220/4885DRD3 376/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ADRA2A 245/4885DRD2 220/4885DRD3 376/4885

“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.