SCHEMBL5751646

SCHEMBL5751646

CC1[CH]Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PDPK1 O15530 1/20 0.36
PRCP P42785 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
OPRM1 P35372 1/20 0.36
HRH1 P35367 2/20 0.35

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
SCHEMBL8849849 0.77 HTR2A (0.36) HTR2AHTR2CHTR2BPDPK1PRCP
SCHEMBL3078945 0.71 HTR2A (0.38) HTR2AHTR2CHRH1
SCHEMBL5749663 0.71 HTR2A (0.38) HTR2AHTR2CPDPK1PRCPCHRNB2
SCHEMBL6629432 0.71 HTR2A (0.48) HTR2AHTR2CHRH1
SCHEMBL528662 0.71 HTR2A (0.38) HTR2AHTR2CHRH1
SCHEMBL3426562 0.71 HTR2A (0.38) HTR2AHTR2CHRH1
SCHEMBL6763552 0.71 HTR2A (0.38) HTR2AHTR2CHRH1
SCHEMBL6632659 0.71 PDPK1 (0.46) HTR2AHTR2CHTR2BPDPK1HRH1
SCHEMBL11312986 0.71 PRCP (0.43) HTR2AHTR2CPDPK1PRCPCHRNB2
SCHEMBL8022387 0.71 HTR2A (0.35) HTR2AHTR2CHTR2BPDPK1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2938341-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2018-09-05 EP disclosed
US-9884844-B2 Heterocyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-11-26 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 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 (1 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-20150336928-A1 Heterocyclic Compounds And Methods Of Use Thereof GRIN2C, COMT, NLN HTR2A 111/4885HTR2C 16/4885HTR2B 146/4885

“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.