SCHEMBL330288

SCHEMBL330288

[CH2]C(C)Cc1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
HTR2B P41595 1/20 0.67
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
SIGMAR1 Q99720 3/20 0.50
ADRB2 P07550 2/20 0.46
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
TACR1 P25103 2/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL27491154 0.85 HTR2A (0.62) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL3677922 0.83 HTR2A (0.71) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL8692161 0.81 HTR2A (0.62) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL17413319 0.80 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL31054149 0.80 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL10937919 0.80 HTR2A (0.67) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL5306693 0.80 HTR2A (0.56) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL31054190 0.80 HTR2A (1.00) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL8465868 0.80 HTR2A (0.67) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL6304187 0.80 HTR2A (0.67) HTR2AHTR2CHTR2BCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8815871-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
EP-1881975-B1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2014-01-08 EP disclosed
EP-2407451-B1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMA CO LTD (JP) 2013-11-20 EP disclosed
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8420623-B2 N, N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
CN-1147248-A N- (3-pyrrolidinyl) benzamide derivatives YAMANOUCHI PHARMA CO LTD (JP) 1997-04-09 CN disclosed
CN-1143364-A 5-HT3 receptor agonist, novel thiazole derivative, and intermediate thereof YAMANOUCHI PHARMA CO LTD (JP) 1997-02-19 CN disclosed
EP-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 EP disclosed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed
CN-1105354-A Novel alkamine derivative and slat of same YAMANOUCHI PHARMA CO LTD (JP) 1995-07-19 CN disclosed
CN-1051178-A New heterogeneous ring compound and preparation method thereof YAMANOUCHI PHARMA CO LTD (JP) 1991-05-08 CN disclosed
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
US-4104036-A TO IMPROVE OCTANE RATING ATLANTIC RICHFIELD COMPANY (US) 1978-08-01 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 (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-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 HTR2A 28/4885HTR2C 27/4885HTR2B 25/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 HTR2A 28/4885HTR2C 27/4885HTR2B 25/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 HTR2A 28/4885HTR2C 27/4885HTR2B 25/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 HTR2A 28/4885HTR2C 27/4885HTR2B 25/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 HTR2A 28/4885HTR2C 27/4885HTR2B 25/4885

“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.