SCHEMBL17518855

SCHEMBL17518855

CC(=O)N(CC1CCC1)CC1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 13/20 0.50
▸ AVPR1A P37288 8/20 0.48
▸ AVPR2 P30518 1/20 0.46
▸ AVPR1B P47901 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL17516260 0.83 ALDH1A1 (0.48) OXTRAVPR1AAVPR2AVPR1BGAA
SCHEMBL16644927 0.79 ALDH1A1 (0.34) OXTRAVPR1AAVPR2AVPR1BGAA
SCHEMBL14276878 0.76 NAMPT (0.45) GAAALDH1A1KMT2A
SCHEMBL12443455 0.76 PDE4A (0.47) OXTRAVPR1AAVPR2AVPR1BGAA
SCHEMBL16316832 0.76 OXTR (0.38) OXTRAVPR1AAVPR2AVPR1BGAA
SCHEMBL611402 0.75 OXTR (0.42) OXTRAVPR1AAVPR2AVPR1BGAA
SCHEMBL17518846 0.74 ALDH1A1 (0.38) OXTRAVPR1AAVPR2AVPR1BGAA
SCHEMBL16644930 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16059596 0.72 NPC1 (0.59) OXTRAVPR1AGAARAB9AALDH1A1
SCHEMBL20343561 0.72 ALOX5 (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 — — EP disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 — — 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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI OXTR 2174/4885AVPR1A 4263/4885AVPR2 3258/4885

“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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