SCHEMBL17865249

SCHEMBL17865249

COc1ccc(CN(CCCl)C2CCN(c3nccc4ccc(F)cc34)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.38
▸ CCNT1 O60563 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNH2 Q12809 4/20 0.36
▸ CHIT1 Q13231 2/20 0.36
▸ CHIA Q9BZP6 2/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ HRH1 P35367 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ KIT P10721 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL17847626 0.81 MEN1 (0.38) HTR2AMEN1KMT2AKCNH2KDM5A
SCHEMBL17847628 0.81 MEN1 (0.38) HTR2AMEN1KMT2AKCNH2KDM5A
SCHEMBL17865170 0.80 CCR3 (0.46) CCNT1CDK9MEN1KMT2AKCNH2
Hydrochloric Acid SCHEMBL19743164 0.79 CCR3 (0.45) CCNT1CDK9MEN1KMT2AKCNH2
SCHEMBL3683459 0.72 ACHE (0.57) DRD2DRD3KDM4EAURKAACHE
SCHEMBL17847576 0.69 PDE10A (0.57) —
SCHEMBL17844919 0.68 HRH3 (0.44) KIT
SCHEMBL3682723 0.68 HTT (0.64) KDM4E
SCHEMBL17847566 0.66 HTR6 (0.37) CHRM4DRD2
SCHEMBL17847564 0.66 HTR6 (0.37) CHRM4DRD2

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-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-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
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 HTR2A 4761/4885CCNT1 2754/4885CDK9 2522/4885
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC HTR2A 4761/4885CCNT1 2754/4885CDK9 2522/4885

“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.

Send feedback