SCHEMBL3464964

SCHEMBL3464964

CCCCCNC(C)Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.77
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
HTR1A P08908 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
DRD2 P14416 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
CNR1 P21554 1/20 0.60
SLC6A2 P23975 1/20 0.60
HTR2A P28223 1/20 0.60
SLC6A4 P31645 1/20 0.60
MC4R P32245 1/20 0.60
ADRA1A P35348 1/20 0.60
HRH1 P35367 1/20 0.60
OPRM1 P35372 1/20 0.60
DRD3 P35462 1/20 0.60
SCN1A P35498 1/20 0.60
OPRK1 P41145 1/20 0.60
SLC6A3 Q01959 1/20 0.60

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
SCHEMBL28158831 0.98 SIGMAR1 (0.74) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL4821348 0.95 SIGMAR1 (0.79) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL4821356 0.95 SIGMAR1 (0.79) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL30384619 0.93 SIGMAR1 (0.86) SIGMAR1ADRB2ADRB1HTR1AADORA3
Phenol SCHEMBL27559106 0.92 SIGMAR1 (0.69) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL20689714 0.91 SIGMAR1 (0.86) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL20689707 0.91 SIGMAR1 (0.86) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL20689723 0.91 SIGMAR1 (0.86) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL9134313 0.87 SIGMAR1 (1.00) SIGMAR1ADRB2ADRB1HTR1AADORA3
SCHEMBL711506 0.87 SIGMAR1 (1.00) SIGMAR1ADRB2ADRB1HTR1AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614346-B2 Methods and compositions for preparation of amphetamine conjugates and salts thereof CAMBREX CHARLES CITY, INC. (US) 2013-12-24 US claimed
US-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF BLUE OWL CAPITAL CORPORATION, AS NEW AGENT 2012-07-26 US claimed
WO-2010148305-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF CAMBREX CHARLES CITY, INC. (US) 2010-12-23 WO claimed
EP-4547250-A1 METHODS AND COMPOSITIONS RELATING TO CONTROLLING PSYCHEDELIC EFFECTS WITH SEROTONIN RECEPTOR MODULATORS Terran Biosciences Inc. (US) 2025-05-07 EP disclosed
US-12269818-B2 Analogs of xanomeline TERRAN BIOSCIENCES INC. (US) 2025-04-08 US disclosed
US-20250090554-A1 A METHOD OF TREATING DEPRESSION BY IMMUNE MODULATION MYND LIFE SCIENCES INC (CA) 2025-03-20 US disclosed
US-20240368149-A1 ANALOGS OF XANOMELINE TERRAN BIOSCIENCES INC. 2024-11-07 US disclosed
US-20240197681-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-20 US disclosed
EP-4313030-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS Terran Biosciences, Inc. (US) 2024-02-07 EP disclosed
US-20240000795-A1 METHODS AND COMPOSITIONS RELATING TO CONTROLLING PSYCHEDELIC EFFECTS WITH SEROTONIN RECEPTOR MODULATORS TERRAN BIOSCIENCES INC. 2024-01-04 US disclosed
WO-2024006984-A1 METHODS AND COMPOSITIONS RELATING TO CONTROLLING PSYCHEDELIC EFFECTS WITH SEROTONIN RECEPTOR MODULATORS TERRAN BIOSCIENCES INC. (US) 2024-01-04 WO disclosed
WO-2023129976-A1 SALT AND SOLID FORMS OF KETANSERIN TERRAN BIOSCIENCES, INC. (US) 2023-07-06 WO disclosed
WO-2022212854-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS TERRAN BIOSCIENCES INC. (US) 2022-10-06 WO disclosed
US-8779191-B2 Methods and compositions for preparing lisdexamfetamine and salts thereof CAMBREX CHARLES CITY, INC. (US) 2014-07-15 US disclosed
US-8614346-B2 Methods and compositions for preparation of amphetamine conjugates and salts thereof CAMBREX CHARLES CITY, INC. (US) 2013-12-24 US disclosed
US-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF BLUE OWL CAPITAL CORPORATION, AS NEW AGENT 2012-07-26 US disclosed
US-20120157706-A1 Methods and Compositions for Preparing Lisdexamfetamine and Salts Thereof AVISTA PHARMA SOLUTIONS, INC. 2012-06-21 US disclosed
WO-2010148305-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF CAMBREX CHARLES CITY, INC. (US) 2010-12-23 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 (6 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-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF PNMT, COMT, DDT SIGMAR1 981/4885ADRB2 1535/4885ADRB1 854/4885
US-20240000795-A1 METHODS AND COMPOSITIONS RELATING TO CONTROLLING PSYCHEDELIC EFFECTS WITH SEROTONIN RECEPTOR MODULATORS HTR2A, HTR1A, HTR2C SIGMAR1 150/4885ADRB2 90/4885ADRB1 103/4885
US-20120157706-A1 Methods and Compositions for Preparing Lisdexamfetamine and Salts Thereof SLC6A3, COMT, LPXN SIGMAR1 729/4885ADRB2 1350/4885ADRB1 810/4885
US-20240197681-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR3A SIGMAR1 232/4885ADRB2 96/4885ADRB1 97/4885
US-20240368149-A1 ANALOGS OF XANOMELINE HTR5A, HTR3A, HTR3B SIGMAR1 178/4885ADRB2 307/4885ADRB1 402/4885
US-12269818-B2 Analogs of xanomeline HTR5A, HTR3A, HTR3B SIGMAR1 178/4885ADRB2 307/4885ADRB1 402/4885

“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.