SCHEMBL2442771

SCHEMBL2442771

COc1ccc(CCC(=O)C2CCC3(CC2)CN(C2CCc4cc(-c5cc(C)ncn5)ccc42)N3)c(C(N)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.67
HTR2B P41595 2/20 0.61
KCNH2 Q12809 2/20 0.61

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
SCHEMBL2432029 0.81 GHSR (1.00) GHSRHTR2BKCNH2
SCHEMBL2435850 0.76 GHSR (1.00) GHSRHTR2BKCNH2
SCHEMBL2433938 0.76 GHSR (1.00) GHSRHTR2BKCNH2
SCHEMBL2432115 0.67 GHSR (1.00) GHSRHTR2BKCNH2
SCHEMBL2438642 0.67 GHSR (1.00) GHSRHTR2BKCNH2
SCHEMBL2440111 0.65 GHSR (1.00) GHSRHTR2BKCNH2
SCHEMBL2436208 0.65 GHSR (1.00) GHSRHTR2BKCNH2
SCHEMBL2437701 0.64 GHSR (1.00) GHSRHTR2BKCNH2
SCHEMBL2435431 0.63 GHSR (0.78) GHSRHTR2BKCNH2
SCHEMBL2435480 0.63 GHSR (0.78) GHSRHTR2BKCNH2

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-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 US claimed

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-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR GHSR 3/4885HTR2B 366/4885KCNH2 984/4885

“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.