SCHEMBL531910

SCHEMBL531910

Cc1cc(C#N)ccc1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.58
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
ADRB1 P08588 3/20 0.54
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
HTR6 P50406 2/20 0.48
MAPKAPK2 P49137 1/20 0.46
HTR1A P08908 3/20 0.46
HTR7 P34969 2/20 0.45
ALDH1A1 P00352 2/20 0.43
ADAM10 O14672 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
ADAM17 P78536 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL31514814 1.00 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL21714174 1.00 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL2172069 0.98 HTR3A (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL21492975 0.98 HTR3A (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL28317303 0.87 ADRB1 (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1857426 0.82 LMNA (0.49) ALDH1A1ADAM10MMP2MMP9MMP14
SCHEMBL1366770 0.82 ADAM10 (0.42) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL232730 0.81 ALDH1A1 (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL31575883 0.81 ALDH1A1 (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL13354909 0.80 DRD2 (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078120-A1 SUBSTITUTED PYRIDOPYRIMIDINONES Mirati Therapeutics, Inc. (US) 2026-03-19 US disclosed
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 US disclosed
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2020-02-20 US disclosed
WO-2018078360-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2018-05-03 WO disclosed
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-8980902-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8980902-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 US disclosed
WO-2005117882-A9 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORP (US) 2007-03-01 WO disclosed
WO-2005117882-A9 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORP (US) 2007-03-01 WO disclosed
EP-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP disclosed
WO-2005117882-A2 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORPORATION (US) 2005-12-15 WO disclosed
WO-2005117882-A2 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORPORATION (US) 2005-12-15 WO disclosed
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors INCYTE CORPORATION 2005-11-10 US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 US disclosed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 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 (6 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO HTR3A 3181/4885HTR3E 3591/4885HTR3B 2923/4885
US-20200055847-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY SHH, GLI1, SMO HTR3A 3203/4885HTR3E 3609/4885HTR3B 2854/4885
US-20260078120-A1 SUBSTITUTED PYRIDOPYRIMIDINONES CBR1, CBR3, CNR1 HTR3A 782/4885HTR3E 1382/4885HTR3B 1248/4885
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors MMP9, MMP17, MMP25 HTR3A 2637/4885HTR3E 2057/4885HTR3B 2952/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 HTR3A 1989/4885HTR3E 1938/4885HTR3B 2408/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 HTR3A 1341/4885HTR3E 1485/4885HTR3B 1870/4885

“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.