SCHEMBL10061676

SCHEMBL10061676

C=C1Nc2ccccc2C(C)N1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 12/20 0.42
GPR3 P46089 1/20 0.42
PRCP P42785 1/20 0.32
TSHR P16473 1/20 0.32
BRPF1 P55201 1/20 0.32
CREBBP Q92793 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL29915930 0.79 HTR5A (0.43) HTR5AGPR3BRPF1CREBBPIDO1
SCHEMBL2520126 0.79 HTR5A (0.43) HTR5AGPR3BRPF1CREBBPIDO1
SCHEMBL29915675 0.79 HTR5A (0.43) HTR5AGPR3
SCHEMBL2523848 0.79 HTR5A (0.43) HTR5AGPR3
Hydrochloric Acid SCHEMBL5711670 0.78 HTR5A (0.42) HTR5AGPR3
Hydrochloric Acid SCHEMBL5711485 0.78 HTR5A (0.42) HTR5AGPR3BRPF1CREBBPIDO1
SCHEMBL10061671 0.70 OPRM1 (0.41)
SCHEMBL1879473 0.68 HTR5A (0.43) HTR5ABRPF1CREBBPIDO1
SCHEMBL23563149 0.67 GPR3 (0.60) GPR3PRCP
SCHEMBL13366003 0.66 HTR5A (0.48) HTR5ATSHRBRPF1CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 HTR5A 2844/4885GPR3 2354/4885PRCP 1799/4885

“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.