SCHEMBL6385691

SCHEMBL6385691

NC1c2ccccc2CCc2cnccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.52
▸ RET P07949 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ CYP19A1 P11511 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ ANPEP P15144 2/20 0.42
▸ CYP17A1 P05093 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.38
▸ IDO1 P14902 3/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ ACP3 P15309 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 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
SCHEMBL6389933 0.89 HTR2A (0.52) HTR2ARETRECQLCYP19A1CYP11B2
SCHEMBL31165889 0.82 HTR2A (0.73) HTR2ARETANPEPIDO1ACP3
SCHEMBL113822 0.82 HTR2A (0.73) HTR2ARETANPEPIDO1ACP3
SCHEMBL19334608 0.74 HTR2A (0.67) HTR2ARETANPEPIDO1TSHR
SCHEMBL6386269 0.74 HTR2A (0.50) HTR2ARETCYP19A1ANPEPIDO1
SCHEMBL23905793 0.72 SIGMAR1 (0.42) CYP11B2SIGMAR1IDO1TDO2
SCHEMBL7811212 0.71 CYP11B2 (0.60) HTR2ARETRECQLCYP19A1CYP11B2
SCHEMBL10642897 0.71 HTR2A (0.56) HTR2ARETANPEPIDO1ACP3
SCHEMBL6388506 0.70 ADRA2A (0.44) HTR2ACYP19A1CYP11B2SIGMAR1
SCHEMBL6385324 0.70 CYP19A1 (0.40) CYP19A1CYP11B2

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-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 — — 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 HTR2A 282/4885RET 1869/4885RECQL 2/4885

“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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