SCHEMBL21286546

SCHEMBL21286546

COc1cc(C)ccc1CC(=N)N1C[C@@H]2C(=O)CCC(c3ccccc3)(c3ccccc3)[C@@H]2C1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.81
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
CYP3A4 P08684 1/20 0.81
MAPT P10636 1/20 0.81
TSHR P16473 1/20 0.81
CYP2C19 P33261 1/20 0.81
FNTA P49354 7/20 0.41
FNTB P49356 7/20 0.41
GRIN2B Q13224 1/20 0.35
POLB P06746 1/20 0.32

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
SCHEMBL14434342 0.90 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL8460496 0.90 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL4349316 0.90 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL7551020 0.90 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL29373792 0.90 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729727 0.82 TACR1 (0.82) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729517 0.80 TACR1 (0.71) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729596 0.79 TACR1 (0.80) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729430 0.79 TACR1 (0.80) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9731121 0.79 TACR1 (0.73) TACR1MEN1KMT2ACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11083726-B2 Methods and compositions for treating vasomotor symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2021-08-10 US disclosed
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms ACER THERAPEUTICS INC. 2021-02-04 US disclosed
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2019-08-22 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 (3 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-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A TACR1 226/4885MEN1 1273/4885KMT2A 3242/4885
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A TACR1 226/4885MEN1 1273/4885KMT2A 3242/4885
US-11083726-B2 Methods and compositions for treating vasomotor symptoms VASP, PDE3A, PDE2A TACR1 226/4885MEN1 1273/4885KMT2A 3242/4885

“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.