SCHEMBL21530786

SCHEMBL21530786

N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCNC(=O)C(N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
OPRL1 P41146 2/20 0.42
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL20242350 1.00 FAAH (0.43) FAAHOPRL1PRKD3PRKCGPRKCB
SCHEMBL8203469 0.99 OPRL1 (0.43) FAAHOPRL1TDP1POLB
SCHEMBL7562309 0.99 OPRL1 (0.43) FAAHOPRL1TDP1POLB
SCHEMBL13054036 0.99 OPRL1 (0.43) FAAHOPRL1TDP1POLB
SCHEMBL20241591 0.93 FAAH (0.39) FAAHOPRL1TDP1
SCHEMBL21528393 0.93 FAAH (0.39) FAAHOPRL1TDP1
SCHEMBL21528433 0.90 HDAC8 (0.41) FAAHOPRL1
SCHEMBL20241410 0.90 HDAC8 (0.41) FAAHOPRL1
SCHEMBL20242089 0.90 FAAH (0.41) FAAHTDP1
SCHEMBL20241402 0.90 FAAH (0.41) FAAHTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696639-B2 Heterocyclic compounds as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2020-06-30 US claimed
US-20190337902-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-11-07 US claimed
US-10696639-B2 Heterocyclic compounds as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2020-06-30 US disclosed
US-20190337902-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-11-07 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 (2 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-10696639-B2 Heterocyclic compounds as HIV protease inhibitors PREP, SERPINB1, PEPD FAAH 629/4885OPRL1 3661/4885PRKD3 3502/4885
US-20190337902-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS PREP, SERPINB1, PEPD FAAH 629/4885OPRL1 3661/4885PRKD3 3502/4885

“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.