SCHEMBL1607394

SCHEMBL1607394

COc1ccc2[nH]cc(CC(N)C(C)=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.70
HTR1A P08908 4/20 0.70
HTR2A P28223 3/20 0.70
HTR2C P28335 3/20 0.70
KDM4E B2RXH2 3/20 0.62
GPR84 Q9NQS5 1/20 0.59
KMT2A Q03164 4/20 0.59
MTNR1A P48039 3/20 0.59
BLM P54132 3/20 0.59
PMP22 Q01453 3/20 0.59
MTNR1B P49286 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP3A4 P08684 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A1 P04798 1/20 0.59
MPO P05164 1/20 0.59
HPGD P15428 1/20 0.59

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
SCHEMBL18029115 0.90 HTR2B (0.70) HTR2BHTR1AHTR2AHTR2CKDM4E
SCHEMBL122601 0.90 HTR2B (0.70) HTR2BHTR1AHTR2AHTR2CKDM4E
SCHEMBL1421284 0.90 HTR2B (0.70) HTR2BHTR1AHTR2AHTR2CKDM4E
SCHEMBL2330863 0.90 HTR2B (0.70) HTR2BHTR1AHTR2AHTR2CKDM4E
SCHEMBL122600 0.90 HTR2B (0.70) HTR2BHTR1AHTR2AHTR2CKDM4E
Ammonia Solution, Strong SCHEMBL28594768 0.89 HTR2B (0.68) HTR2BHTR1AHTR2AHTR2CKDM4E
SCHEMBL6302625 0.89 HTR2B (0.68) HTR2BHTR1AHTR2AHTR2CKDM4E
SCHEMBL1196470 0.89 HTR2B (0.68) HTR2BHTR1AHTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL28152940 0.88 HTR2B (0.67) HTR2BHTR1AHTR2AHTR2CKDM4E
SCHEMBL28594764 0.88 HTR2B (0.67) HTR2BHTR1AHTR2AHTR2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737462-B2 Methods for modulating plant response to environmentally-induced stress HOWARD UNIVERSITY (US) 2023-08-29 US disclosed
US-20180009750-A1 5-METHOXYTRYPTOPHAN AND ITS DERIVATIVES AND USES THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-01-11 US disclosed
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS GEORGETOWN UNIVERSITY 2015-04-30 US disclosed
US-20110081385-A1 Compositions and Methods for Sleep Regulation LIFESCAPE BIOSCIENCES INC. (US) 2011-04-07 US disclosed
US-7799817-B2 Compositions and methods for sleep regulation LIFESCAPE BIOSCIENCES INC (US) 2010-09-21 US disclosed
EP-1715742-A4 COMPOSITIONS AND METHODS FOR SLEEP REGULATION LIFESCAPE BIOSCIENCES INC (US) 2009-06-17 EP disclosed
EP-1715742-A1 COMPOSITIONS AND METHODS FOR SLEEP REGULATION Lifescape Bioscience Incorporated (US) 2006-11-02 EP disclosed
US-20050272690-A1 Compositions and methods for sleep regulation LIFESCAPE BIOSCIENCES INC. 2005-12-08 US disclosed
WO-2005082143-A1 COMPOSITIONS AND METHODS FOR SLEEP REGULATION LIFESCAPE BIOSCIENCES INCORPORATED (US) 2005-09-09 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 (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-11737462-B2 Methods for modulating plant response to environmentally-induced stress RACK1, ROS1, HSF1 HTR2B 4628/4885HTR1A 3190/4885HTR2A 3247/4885
US-20150119250-A1 METHODS FOR MODULATING PLANT RESPONSE TO ENVIRONMENTALLY-INDUCED STRESS RACK1, ROS1, HSF1 HTR2B 4628/4885HTR1A 3190/4885HTR2A 3247/4885
US-20180009750-A1 5-METHOXYTRYPTOPHAN AND ITS DERIVATIVES AND USES THEREOF TPH1, HTR5A, HTR1A HTR2B 18/4885HTR1A 3/4885HTR2A 6/4885
US-20110081385-A1 Compositions and Methods for Sleep Regulation PER2, CRY1, CRY2 HTR2B 49/4885HTR1A 360/4885HTR2A 201/4885
US-20050272690-A1 Compositions and methods for sleep regulation PER2, CRY1, CRY2 HTR2B 49/4885HTR1A 360/4885HTR2A 201/4885

“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.