SCHEMBL17779065

SCHEMBL17779065

CCN1CCCC(c2cccnc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.57
▸ DRD2 P14416 3/20 0.54
▸ DRD3 P35462 3/20 0.54
▸ CHRNA7 P36544 3/20 0.52
▸ CHRNB2 P17787 3/20 0.52
▸ CHRNA4 P43681 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ CHRNB4 P30926 2/20 0.52
▸ CHRNA3 P32297 2/20 0.52
▸ CHRNA2 Q15822 2/20 0.52
▸ DRD1 P21728 2/20 0.52
▸ DRD4 P21917 2/20 0.52
▸ DRD5 P21918 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HTR3E A5X5Y0 1/20 0.52
▸ PSIP1 O75475 1/20 0.52
▸ TRPA1 O75762 1/20 0.52
▸ HTR3B O95264 1/20 0.52
▸ CHRNA1 P02708 1/20 0.52

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
SCHEMBL18745412 0.85 CYP11B2 (0.56) CYP11B2DRD2DRD3CHRNA7CHRNB2
SCHEMBL17774405 0.85 CYP11B2 (0.53) CYP11B2DRD2DRD3CHRNA7CHRNB2
SCHEMBL23374726 0.84 CYP11B2 (0.53) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL13842724 0.83 CYP11B2 (0.57) CYP11B2DRD2CHRNA7CHRNB2CHRNA4
SCHEMBL17518822 0.82 CYP11B2 (0.60) CYP11B2DRD2DRD3CHRNA7CHRNB2
SCHEMBL16410879 0.81 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12125697 0.81 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12125694 0.81 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10644222 0.81 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL16144645 0.80 HSD11B1 (0.50) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624211-B2 Anti-cancer compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 — — US disclosed
US-20160145250-A1 ANTI-CANCER COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-26 — — 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-20160145250-A1 ANTI-CANCER COMPOUNDS SKP2, TP53, TEAD2 CYP11B2 2344/4885DRD2 3791/4885DRD3 3537/4885

“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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