SCHEMBL18558786

SCHEMBL18558786

CCCCCCCC(CCCCC)C(OC(=O)N(C)CC(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
FAAH O00519 5/20 0.35
LMNA P02545 2/20 0.35
CA2 P00918 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
CTSK P43235 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
FFAR1 O14842 1/20 0.33
CA1 P00915 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL18856326 1.00 ABCB1 (0.38) ABCB1FAAHLMNACA2CNR1
SCHEMBL22844399 0.93 ABCB1 (0.35) ABCB1FAAHLMNACA2CNR1
SCHEMBL20260444 0.89 ABCB1 (0.38) ABCB1FAAHLMNACA2CNR1
SCHEMBL18388357 0.88 ABCB1 (0.40) ABCB1FAAHLMNACA2CNR1
SCHEMBL18856272 0.85 FAAH (0.37) ABCB1FAAHLMNACNR1CNR2
SCHEMBL22844380 0.85 FAAH (0.37) ABCB1FAAHLMNACNR1CNR2
SCHEMBL18558912 0.85 FAAH (0.37) ABCB1FAAHLMNACNR1CNR2
SCHEMBL20260309 0.85 FAAH (0.37) ABCB1FAAHLMNACNR1CNR2
SCHEMBL18558907 0.85 FAAH (0.39) ABCB1FAAHLMNACA2CNR1
SCHEMBL20697377 0.82 MMP1 (0.30) CTSK

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-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-06-14 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 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-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ABCB1 908/4885FAAH 565/4885LMNA 1349/4885

“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.