SCHEMBL23927937

SCHEMBL23927937

COc1ccc2c(ccn2CC(OC(=O)/C=C/C(=O)OC(Cn2ccc3cc(OC)ccc32)N(C)C)N(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.53
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC11 Q96DB2 1/20 0.45
PRMT5 O14744 7/20 0.44
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HTR2A P28223 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL23927907 0.86 HTR2C (0.51) HTR2CHDAC8HDAC6HDAC11PRMT5
SCHEMBL23927929 0.86 HTR2C (0.51) HTR2CHDAC8HDAC6HDAC11PRMT5
SCHEMBL23927871 0.85 PPARD (0.48) HDAC6HDAC1
SCHEMBL23927824 0.83 KMT2A (0.44) HTR2CHDAC8HDAC6HDAC1HDAC2
SCHEMBL23927819 0.82 HTR2C (0.50) HTR2CMTNR1AMTNR1BHDAC8HDAC6
SCHEMBL23927876 0.81 HTR2C (0.54) HTR2CMTNR1AMTNR1BHDAC8HDAC6
SCHEMBL23927869 0.79 HTR2C (0.51) HTR2CMTNR1AMTNR1BHDAC8HDAC6
SCHEMBL7678475 0.79 KMO (0.47) HTR2CHDAC8HDAC6HDAC11PRMT5
Fumaric Acid SCHEMBL25201003 0.79 HTR2C (0.56) HTR2CMTNR1AMTNR1BHDAC8HDAC6
Fumaric Acid SCHEMBL30729586 0.79 HTR2C (0.56) HTR2CMTNR1AMTNR1BHDAC8HDAC6

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-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-22 US disclosed
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA CORPORATION 2021-10-28 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 (2 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-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders TPH2, AANAT, HTR2C HTR2C 3/4885MTNR1A 61/4885MTNR1B 70/4885
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C HTR2C 3/4885MTNR1A 61/4885MTNR1B 70/4885

“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.