SCHEMBL17294704

SCHEMBL17294704

O=C(NCC1CCCN1Cc1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.54
KMT2A Q03164 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 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
SCHEMBL24671763 0.86 SLC6A2 (0.55) SLC6A2SLC6A3
SCHEMBL19946919 0.84 CCR2 (0.61) CCR2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL19946922 0.84 CCR2 (0.61) CCR2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL14290582 0.76 OPRM1 (0.55) CCR2KMT2ASIGMAR1OPRM1OPRD1
SCHEMBL9091685 0.76 OPRM1 (0.55) CCR2KMT2ASIGMAR1OPRM1OPRD1
SCHEMBL14454201 0.75 CCR2 (0.48) CCR2SIGMAR1
SCHEMBL11462791 0.74 CCR2 (0.49) CCR2SIGMAR1
SCHEMBL14822485 0.74 OPRD1 (0.53) CCR2OPRD1
SCHEMBL3689270 0.74 OPRD1 (0.53) CCR2OPRD1
SCHEMBL11459718 0.74 CCR2 (0.49) CCR2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10207993-B2 Compounds as anti-tubercular agents SPHAERA PHARMA PVT. LTD. (IN) 2019-02-19 US claimed
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-11-23 US claimed
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-06-29 US claimed
EP-3148518-A2 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS Sphaera Pharma Pvt. Ltd. (IN) 2017-04-05 EP claimed
WO-2015181837-A2 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2015-12-03 WO claimed
EP-3148518-B1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PRIVATE LTD (IN) 2022-11-30 EP disclosed
US-10207993-B2 Compounds as anti-tubercular agents SPHAERA PHARMA PVT. LTD. (IN) 2019-02-19 US disclosed
US-10100012-B2 Compounds as anti-tubercular agents SPHAERA PHARMA PVT. LTD. (IN) 2018-10-16 US 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-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
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-06-29 US disclosed
EP-3148518-A2 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS Sphaera Pharma Pvt. Ltd. (IN) 2017-04-05 EP disclosed
WO-2015181837-A2 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2015-12-03 WO 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 (4 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-10100012-B2 Compounds as anti-tubercular agents FNTB, G6PD, PGGT1B CCR2 2207/4885KMT2A 4608/4885SIGMAR1 2089/4885
US-10207993-B2 Compounds as anti-tubercular agents FNTB, G6PD, PGGT1B CCR2 2207/4885KMT2A 4608/4885SIGMAR1 2089/4885
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS FNTB, PGGT1B, GGPS1 CCR2 1782/4885KMT2A 4594/4885SIGMAR1 1761/4885
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS FNTB, PGGT1B, GGPS1 CCR2 1782/4885KMT2A 4594/4885SIGMAR1 1761/4885

“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.