SCHEMBL24360481

SCHEMBL24360481

CN1CCC(N2c3ccccc3NC2O)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 3/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ HTR2A P28223 3/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL18464813 0.78 GPR119 (0.50) PTPN1MEN1KMT2AMAPK1
SCHEMBL18413086 0.75 HTR2A (0.42) HTR2AHTR2CHTR2BADRA2CMEN1
SCHEMBL17339956 0.73 HTR2A (0.54) BRD4HTR2AHTR2CHTR2BCHRM2
SCHEMBL18478663 0.73 OPRM1 (0.38) OPRL1HTR2AHTR2CHTR2BCHRM2
SCHEMBL18753027 0.71 PTPN1 (0.41) BRD4PTPN1MEN1KMT2AGAA
SCHEMBL11102106 0.69 HTR2C (0.45) BRD4HTR2AHTR2CHTR2BPTPN1
SCHEMBL13992276 0.67 OPRL1 (0.73) OPRL1
Bromide SCHEMBL10558934 0.67 HTR2C (0.43) BRD4HTR2AHTR2CHTR2BPTPN1
SCHEMBL13343480 0.67 OPRL1 (0.43) OPRL1CHRM2CHRM3MEN1KMT2A
SCHEMBL12502444 0.65 PTPN1 (0.38) BRD4PTPN1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2022-04-28 — — 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 (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-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRL1 815/4885BRD4 3154/4885HTR2A 272/4885

“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.

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