SCHEMBL1131640

SCHEMBL1131640

CCC(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.76
KDM4E B2RXH2 3/20 0.76
ALDH1A1 P00352 2/20 0.76
CYP2D6 P10635 2/20 0.76
NPSR1 Q6W5P4 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
MAPT P10636 1/20 0.76
IDO1 P14902 1/20 0.76
HPGD P15428 1/20 0.76
BLM P54132 1/20 0.76
NOTUM Q6P988 1/20 0.76
TRPV1 Q8NER1 11/20 0.74
MEN1 O00255 1/20 0.67
HTR2C P28335 1/20 0.67
KMT2A Q03164 1/20 0.67
LMNA P02545 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
FAAH O00519 1/20 0.65
PTGS2 P35354 1/20 0.65

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
SCHEMBL4686124 0.91 TRPV1 (0.84) SPRKDM4EALDH1A1CYP2D6NPSR1
SCHEMBL25137286 0.88 TRPV1 (0.76) SPRKDM4EALDH1A1CYP2D6NPSR1
SCHEMBL2271234 0.88 SPR (0.74) SPRKDM4EALDH1A1CYP2D6NPSR1
SCHEMBL31036202 0.88 TRPV1 (0.91) SPRKDM4EALDH1A1CYP2D6NPSR1
SCHEMBL13996187 0.87 SPR (0.73) SPRKDM4EALDH1A1CYP2D6NPSR1
SCHEMBL17211923 0.87 MTNR1A (0.76) SPRKDM4EALDH1A1CYP2D6NPSR1
SCHEMBL6425731 0.87 SPR (0.72) SPRKDM4EALDH1A1CYP2D6NPSR1
SCHEMBL6424921 0.87 SPR (0.72) SPRKDM4EALDH1A1CYP2D6NPSR1
SCHEMBL12720729 0.87 SPR (1.00) SPRKDM4EALDH1A1CYP2D6NPSR1
Acetylserotonin SCHEMBL30295379 0.86 SPR (1.00) SPRKDM4EALDH1A1CYP2D6NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303617-B1 FOR THERAPY OF OBESITY, LOWERING SERUM CHOLESTEROL AND HIGH DENSITY LIPOPROTEIN IN MAMMALS, INHIBITOR OF MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-16 US claimed
EP-2282735-B1 PP2A MODULATORS FOR TREATING ALZHEIMER, PARKINSON, DIABETES SIGNUM BIOSCIENCES INC (US) 2019-01-16 EP disclosed
US-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME SIGNUM BIOSCIENCES, INC. (US) 2017-09-21 US disclosed
US-9486441-B2 Compounds, compositions and methods for making the same SIGNUM BIOSCIENCES, INC. (US) 2016-11-08 US disclosed
US-9486441-B2 Compounds, compositions and methods for making the same SIGNUM BIOSCIENCES, INC. (US) 2016-11-08 US disclosed
US-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SOLACE PHARMACEUTICALS UK LTD. (GB) 2016-02-04 US disclosed
US-20150306077-A1 Novel Compositions and Methods for Treating Cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-10-29 US disclosed
US-9169234-B2 Sepiapterin reductase inhibitors for the treatment of pain CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-10-27 US disclosed
US-9073851-B2 Compositions and methods for treating cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-07-07 US disclosed
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
CN-1727339-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-01 CN disclosed
EP-1550655-A1 Bicyclic intermediates Takeda Pharmaceutical Company Limited (JP) 2005-07-06 EP disclosed
EP-0885210-B1 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 EP disclosed
EP-1199304-A1 Bicyclic compounds and pharmaceutical composition containing tricyclic compound for treating or preventing sleep disorders Takeda Chemical Industries, Ltd. (JP) 2002-04-24 EP disclosed
US-6218429-B1 TREATING MELATONIN RELATED DISORDERS (E.G. CIRCARDIAN RHYTHMS, SLEEP-AWAKE CYCLES, TIME ZONE CHANGES, SLEEP DISORDERS) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
CN-1212691-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-03-31 CN disclosed
EP-0885210-A1 Tricylic compounds having binding affinity for melatonin receptors, their production and use Takeda Chemical Industries, Ltd. (JP) 1998-12-23 EP disclosed
WO-1997032871-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-12 WO disclosed
US-4908322-A Reacting sample with O-acyl N-hydroxysulfosuccinamide to form N-acylated amine derivative, separating, chromatographically analyzing THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1990-03-13 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 (4 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-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SPR, QDPR, SRR SPR 1/4885KDM4E 3528/4885ALDH1A1 788/4885
US-20150306077-A1 Novel Compositions and Methods for Treating Cancer HDGF, HCCS, CCNC SPR 4166/4885KDM4E 2945/4885ALDH1A1 3993/4885
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC SPR 4166/4885KDM4E 2945/4885ALDH1A1 3993/4885
US-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME PPP2CA, PPP4C, PPP6C SPR 1640/4885KDM4E 243/4885ALDH1A1 3385/4885

“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.