SCHEMBL23939714

SCHEMBL23939714

CC(C)c1cnc2cc(CC(C)c3cc4ccccc4cn3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ CYP3A4 P08684 5/20 0.34
▸ CYP2D6 P10635 5/20 0.34
▸ SLC6A2 P23975 5/20 0.34
▸ SLC6A4 P31645 5/20 0.34
▸ SLC6A3 Q01959 5/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ UGT2B7 P16662 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ ADRB2 P07550 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ TPH1 P17752 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
SCHEMBL23841158 0.85 HTR2A (0.38) HTR2AHTR2CHTR2BESR1ESR2
SCHEMBL20354295 0.84 HTR2A (0.37) HTR2AHTR2CHTR2BESR1ESR2
SCHEMBL23008292 0.82 HTR2A (0.42) HTR2AHTR2CHTR2BESR1ESR2
SCHEMBL20469944 0.82 HTR2A (0.40) HTR2AHTR2CHTR2BADRB2CYP1A2
SCHEMBL20178504 0.79 ABL1 (0.39) HTR2AHTR2CHTR2BESR1S1PR1
SCHEMBL24758455 0.79 HTR2A (0.47) HTR2AHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL25728286 0.79 HTR2A (0.47) HTR2AHTR2CHTR2BCYP3A4CYP2D6
SCHEMBL21721788 0.77 PIK3CD (0.36) HTR2AHTR2CHTR2B
SCHEMBL23604138 0.76 LMNA (0.52) HTR2AHTR2CHTR2BESR1ESR2
SCHEMBL21497378 0.76 HTR2A (0.43) HTR2AHTR2CHTR2BESR1ESR2

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-20210322383-A1 NEUROPROTECTIVE DISRUPTION OF KV2.1/SYNTAXIN INTERACTION BY SMALL MOLECULES UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-10-21 — — 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-20210322383-A1 NEUROPROTECTIVE DISRUPTION OF KV2.1/SYNTAXIN INTERACTION BY SMALL MOLECULES STXBP1, KCNN2, KCNN1 HTR2A 343/4885HTR2C 731/4885HTR2B 447/4885

“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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