SCHEMBL3565552

SCHEMBL3565552

CCOC(=O)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
LMNA P02545 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.61
ACHE P22303 1/20 0.54
CNR1 P21554 7/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CNR2 P34972 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
NR3C2 P08235 1/20 0.48
PDE5A O76074 1/20 0.47
PRKCZ Q05513 1/20 0.47
NPEPPS P55786 1/20 0.47

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
SCHEMBL9723620 0.94 ALDH1A1 (0.65) ALDH1A1LMNASMN1; SMN2ACHECNR1
SCHEMBL31429954 0.91 SMN1; SMN2 (0.64) ALDH1A1LMNASMN1; SMN2ACHEMAPT
SCHEMBL31429950 0.88 SMN1; SMN2 (0.61) ALDH1A1LMNASMN1; SMN2ACHECNR1
SCHEMBL31429952 0.88 SMN1; SMN2 (0.61) ALDH1A1LMNASMN1; SMN2ACHEMAPT
SCHEMBL31429972 0.87 SMN1; SMN2 (0.60) ALDH1A1LMNASMN1; SMN2ACHEMAPT
SCHEMBL31429978 0.86 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2ACHECNR1
SCHEMBL31429953 0.85 SMN1; SMN2 (0.58) ALDH1A1LMNASMN1; SMN2ACHEMAPT
SCHEMBL31429935 0.84 SMN1; SMN2 (0.57) ALDH1A1LMNASMN1; SMN2ACHEMAPT
SCHEMBL1023193 0.82 CNR1 (0.58) ALDH1A1LMNACNR1CNR2PDE5A
SCHEMBL31429966 0.82 SMN1; SMN2 (0.59) ALDH1A1LMNASMN1; SMN2ACHEMAPT

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-119698496-A Electrochemical synthesis of pyrazolines and pyrazoles 拜耳公司 2025-03-25 CN disclosed
US-20110053983-A1 (5R)-1,5-DIARYL-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDINE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 US disclosed
US-7745476-B2 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2010-06-29 US disclosed
EP-1713475-B1 1,3,5-TRISUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2008-07-30 EP disclosed
EP-1713475-A1 1,3,5-TRISUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2006-10-25 EP disclosed
WO-2005074920-A1 1,3,5-TRISUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-18 WO disclosed
US-20050171179-A1 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2005-08-04 US 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-20110053983-A1 (5R)-1,5-DIARYL-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXAMIDINE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY CNR1, CNR2, HTR5A ALDH1A1 1089/4885LMNA 4143/4885SMN1; SMN2 2198/4885
US-20050171179-A1 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity CNR2, CNR1, TBXA2R ALDH1A1 1262/4885LMNA 4581/4885SMN1; SMN2 4253/4885

“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.