SCHEMBL17301751

SCHEMBL17301751

O=C(N[C@H]1CCCN(Cc2ccccc2)C1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.56
CCR1 P32246 1/20 0.56
ALDH1A1 P00352 2/20 0.55
DRD2 P14416 6/20 0.53
DRD4 P21917 6/20 0.53
CCR2 P41597 2/20 0.53
NPC1 O15118 1/20 0.52
AGTR2 P50052 1/20 0.51
DRD3 P35462 2/20 0.51
DPP7 Q9UHL4 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49

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
SCHEMBL17294691 1.00 BACE1 (0.56) BACE1CCR1ALDH1A1DRD2DRD4
SCHEMBL17294690 1.00 BACE1 (0.56) BACE1CCR1ALDH1A1DRD2DRD4
SCHEMBL17294617 0.89 BACE1 (0.55) BACE1ALDH1A1DRD2DRD4CCR2
SCHEMBL17294616 0.89 BACE1 (0.55) BACE1ALDH1A1DRD2DRD4CCR2
SCHEMBL19049037 0.89 CCR1 (0.55) CCR1AGTR2
SCHEMBL29546073 0.89 BACE1 (0.55) BACE1ALDH1A1DRD2DRD4CCR2
SCHEMBL25139432 0.86 ALDH1A1 (0.62) BACE1ALDH1A1DRD2DRD4CCR2
SCHEMBL1623588 0.84 ALDH1A1 (0.60) ALDH1A1DRD2DRD4CCR2NPC1
SCHEMBL5143427 0.84 ALDH1A1 (0.60) ALDH1A1DRD2DRD4CCR2NPC1
SCHEMBL25139942 0.83 ALDH1A1 (0.58) BACE1ALDH1A1DRD2DRD4CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148518-B1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PRIVATE LTD (IN) 2022-11-30 EP disclosed
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-11-23 US disclosed
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-11-23 US disclosed
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-06-29 US disclosed
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-06-29 US disclosed
WO-2015181837-A2 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2015-12-03 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-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS FNTB, PGGT1B, GGPS1 BACE1 2754/4885CCR1 1727/4885ALDH1A1 467/4885
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS FNTB, PGGT1B, GGPS1 BACE1 2754/4885CCR1 1727/4885ALDH1A1 467/4885

“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.