SCHEMBL3921135

SCHEMBL3921135

c1ccc2c(CN3CCCC3)cccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.68
TSHR P16473 1/20 0.65
DRD2 P14416 2/20 0.57
DRD4 P21917 2/20 0.57
DRD3 P35462 2/20 0.57
OPRL1 P41146 1/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
FAAH O00519 1/20 0.55
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GPR84 Q9NQS5 1/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL31010166 0.98 ACHE (0.66) ACHETSHRDRD2DRD4DRD3
SCHEMBL807336 0.98 ACHE (0.66) ACHETSHRDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL16825180 0.96 ACHE (0.64) ACHETSHRDRD2DRD4DRD3
SCHEMBL31392633 0.96 ACHE (0.68) ACHETSHRDRD2DRD4DRD3
SCHEMBL11887347 0.94 ACHE (0.66) ACHETSHRDRD2DRD4DRD3
SCHEMBL12123080 0.84 ACHE (0.67) ACHEDRD2DRD4DRD3OPRL1
SCHEMBL29567963 0.84 ACHE (0.62) ACHETSHRDRD2DRD4DRD3
SCHEMBL10701041 0.84 ACHE (0.62) ACHETSHRDRD2DRD4DRD3
SCHEMBL28594189 0.84 ACHE (0.62) ACHETSHRDRD2DRD4DRD3
SCHEMBL4106102 0.84 ALDH1A1 (0.68) ACHETSHRDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350210-A Preparation method of naphthalene derivative with nitrogen-containing heterocycle 苏州爱玛特生物科技有限公司 2025-01-24 CN disclosed
US-20240294498-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2024-09-05 US disclosed
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US disclosed
EP-2029551-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-04 EP disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 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-20240294498-A1 FACTOR XIIA INHIBITORS F11, F13B, F7 ACHE 1561/4885TSHR 3018/4885DRD2 4731/4885
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 ACHE 3287/4885TSHR 2782/4885DRD2 3854/4885

“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.