SCHEMBL17865170

SCHEMBL17865170

COc1ccc(CNC2CCN(c3nccc4ccc(F)cc34)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KCNH2 Q12809 5/20 0.46
▸ CHRM4 P08173 1/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ KIT P10721 1/20 0.41
▸ EHMT2 Q96KQ7 2/20 0.41
▸ DNMT3A Q9Y6K1 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ GRIN2B Q13224 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
Hydrochloric Acid SCHEMBL19743164 0.99 CCR3 (0.45) CCR3MEN1KMT2AKCNH2CHRM4
SCHEMBL17865249 0.80 HTR2A (0.38) MEN1KMT2AKCNH2CHRM4MCHR1
SCHEMBL3683459 0.74 ACHE (0.57) CCR3
SCHEMBL17847576 0.73 PDE10A (0.57) —
SCHEMBL17844906 0.73 PAK1 (0.45) —
SCHEMBL19753629 0.72 OPRK1 (0.37) —
SCHEMBL17844919 0.72 HRH3 (0.44) KIT
SCHEMBL19691738 0.72 VCP (0.38) CCR3KCNH2
SCHEMBL17847555 0.72 VCP (0.38) CCNT1CDK9
SCHEMBL17861486 0.71 CKS1B (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 — — US disclosed
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 — — US disclosed
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 — — 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-10369130-B2 Antibacterial compounds MRPL21, CLPP, NRDC CCR3 3672/4885MEN1 4380/4885KMT2A 4691/4885
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CCR3 3672/4885MEN1 4380/4885KMT2A 4691/4885

“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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