SCHEMBL4053963

SCHEMBL4053963

N#Cc1ccccc1C1CCNC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
ADRA1A P35348 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41

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
Hydrochloric Acid SCHEMBL20140199 0.98 HTR2C (0.45) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL16455042 0.90 DRD2 (0.55) HTR2ADRD2DRD3
SCHEMBL1513147 0.89 HTR2C (0.55) HTR2CADRA1A
Hydrochloric Acid SCHEMBL16445967 0.89 DRD2 (0.54) HTR2ADRD2DRD3
Hydrochloric Acid SCHEMBL4739383 0.88 HTR2C (0.56) HTR2C
SCHEMBL20139888 0.83 HTR2C (0.49) HTR2CHTR2ADRD2DRD3
SCHEMBL29580963 0.79 ADRA1A (0.49) ADRA1A
SCHEMBL3167985 0.79 ADRA1A (0.49) ADRA1A
SCHEMBL3823877 0.78 HTR2C (0.41) HTR2CHTR2AHTR2BDRD2DRD3
SCHEMBL28533805 0.77 HTR2C (0.57) HTR2CCHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
CN-106573073-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2017-04-19 CN disclosed
US-20090270447-A1 2-Aryl-and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
WO-2009120849-A1 2-ARYL- AND 2-HETEROARYLTHIAZOLYL COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF WYETH (US) 2009-10-01 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-20090270447-A1 2-Aryl-and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof CYP2U1, SEC22B, SEC63 HTR2C 3387/4885HTR2A 4134/4885HTR2B 3883/4885

“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.