SCHEMBL12533195

SCHEMBL12533195

CC(c1ccnc(N)c1)N1CCC(C(=O)N2CCC(N3CCc4ccccc4CC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.49
▸ ACACB O00763 5/20 0.41
▸ ACACA Q13085 5/20 0.41
▸ MBTD1 Q05BQ5 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL12533192 0.85 HRH3 (0.55) HRH3
SCHEMBL13391005 0.81 ACKR3 (0.47) —
SCHEMBL14077861 0.80 ACKR3 (0.45) —
SCHEMBL14077794 0.80 ACKR3 (0.47) —
SCHEMBL14078571 0.80 ACKR3 (0.47) —
SCHEMBL14515330 0.77 CYP3A4 (0.61) CYP3A4CYP2D6
SCHEMBL13003545 0.77 ACKR3 (0.41) —
SCHEMBL14456970 0.76 CNR1 (0.48) CYP3A4
SCHEMBL14355995 0.76 ACKR3 (0.40) —
SCHEMBL13391321 0.76 ACKR3 (0.40) —

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-20110130385-A1 Bicyclic Heterocylic Derivatives and Methods of Use SCHERING CORPORATION 2011-06-02 — — US disclosed
US-20110130385-A1 Bicyclic Heterocylic Derivatives and Methods of Use SCHERING CORPORATION 2011-06-02 — — 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-20110130385-A1 Bicyclic Heterocylic Derivatives and Methods of Use GPR119, OXER1, INSR HRH3 120/4885ACACB 105/4885ACACA 164/4885

“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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