SCHEMBL21982728

SCHEMBL21982728

OC1NN=CC(Oc2ccc(O[C@H]3CCNC3)nc2)=C1Cl

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.38
▸ HTR2B P41595 5/20 0.38
▸ PAICS P22234 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ PRKCZ Q05513 1/20 0.36

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
SCHEMBL20231735 0.72 TIPARP (0.50) HTR2CHTR2B
SCHEMBL4823398 0.71 HTR2C (0.48) HTR2CHTR2BCHRNB2CHRNA4
SCHEMBL13560051 0.71 HTR2C (0.48) HTR2CHTR2BCHRNB2CHRNA4
SCHEMBL28664212 0.67 CHRNB2 (0.55) CHRNB2CHRNA4PRKCZ
SCHEMBL28664210 0.67 CHRNB2 (0.55) CHRNB2CHRNA4PRKCZ
SCHEMBL6304017 0.66 CHRNB2 (0.57) HTR2CHTR2BCHRNB2CHRNA4PRKCZ
SCHEMBL19023755 0.66 HRH1 (0.49) CHRNB2CHRNA4PRKCZ
SCHEMBL4828298 0.66 CHRNB2 (0.47) HTR2CHTR2BCHRNB2CHRNA4PRKCZ
SCHEMBL18077122 0.66 TDO2 (0.52) HTR2CHTR2BCHRNB2CHRNA4PRKCZ
SCHEMBL28671432 0.66 TDO2 (0.52) HTR2CHTR2BCHRNB2CHRNA4PRKCZ

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-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2020-05-12 — — 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-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders MDM2, CRBN, VHL HTR2C 739/4885HTR2B 1955/4885PAICS 4482/4885

“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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