SCHEMBL16670314

SCHEMBL16670314

C=Cc1cccc(CC(N)C(=O)N(C)c2ccc(OC)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CIT O14578 1/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.39
▸ SLC7A5 Q01650 2/20 0.38
▸ BCL2A1 Q16548 2/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36

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
SCHEMBL16670312 1.00 CIT (0.39) CITTAAR1SLC7A5BCL2A1MTNR1A
SCHEMBL15931380 0.88 NR1H4 (0.39) TAAR1BCL2A1TSHRNR1H4KMT2A
SCHEMBL28838104 0.85 PPARG (0.37) BCL2A1TSHRNR1H4KMT2ANPC1
SCHEMBL16670346 0.83 FPR2 (0.42) MTNR1AMTNR1BKMT2ANPC1POLB
SCHEMBL15886513 0.83 TAAR1 (0.41) CITTAAR1SLC7A5KMT2AAAK1
SCHEMBL16670262 0.83 TAAR1 (0.40) CITTAAR1MTNR1AMTNR1BTSHR
SCHEMBL16670265 0.83 TAAR1 (0.40) CITTAAR1MTNR1AMTNR1BTSHR
SCHEMBL15886496 0.83 BCL2A1 (0.35) BCL2A1MTNR1AMTNR1BTSHRNR1H4
SCHEMBL16669866 0.82 CIT (0.52) CITSLC7A5MTNR1AMTNR1BNPC1
SCHEMBL18180135 0.82 CIT (0.52) CITSLC7A5MTNR1AMTNR1BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 — — US disclosed
CN-106458940-A Inhibitors of human immunodeficiency virus replication 百时美施贵宝公司 2017-02-22 — — CN disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 — — US disclosed
EP-3060554-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-08-31 — — EP disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 — — WO 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G CIT 1518/4885TAAR1 4867/4885SLC7A5 2845/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E CIT 1530/4885TAAR1 4865/4885SLC7A5 2952/4885

“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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