SCHEMBL14870587

SCHEMBL14870587

C/C=C/C(=O)N1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.53
HRH3 Q9Y5N1 1/20 0.53
AVPR2 P30518 1/20 0.48
OXTR P30559 1/20 0.47
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL17367279 0.85 RAB9A (0.54) AVPR1AHRH3AVPR2OXTR
SCHEMBL6993813 0.84 AVPR1A (0.59) AVPR1AHRH3AVPR2OXTRSIGMAR1
SCHEMBL12548294 0.83 HRH3 (0.48) AVPR1AHRH3AVPR2OXTR
Hydrochloric Acid SCHEMBL8012832 0.83 AVPR1A (0.54) AVPR1AHRH3AVPR2OXTRSIGMAR1
Hydrochloric Acid SCHEMBL8012830 0.82 AVPR1A (0.53) AVPR1AHRH3AVPR2OXTR
SCHEMBL15963368 0.81 ALDH1A1 (0.56) AVPR1AHRH3OXTR
SCHEMBL15963390 0.81 AVPR1A (0.47) AVPR1AHRH3AVPR2OXTR
SCHEMBL15963372 0.81 AVPR1A (0.54) AVPR1AHRH3AVPR2OXTR
SCHEMBL15963369 0.81 ALDH1A1 (0.55) AVPR1AHRH3
SCHEMBL15963358 0.81 AVPR1A (0.52) AVPR1AHRH3OXTR

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-20130095068-A1 AGENT FOR TREATING HCV INFECTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-18 US disclosed
US-20130095068-A1 AGENT FOR TREATING HCV INFECTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-18 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-20130095068-A1 AGENT FOR TREATING HCV INFECTION EIF2AK2, IRF3, IFNAR1 AVPR1A 3823/4885HRH3 3340/4885AVPR2 3544/4885

“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.