SCHEMBL3942886

SCHEMBL3942886

Nc1c(N2CCNCC2)c(=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL12706485 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10078402 0.69 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL28265912 0.68 ALDH1A1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2ADRB2
SCHEMBL3932102 0.66 CCNT1 (0.38) ALDH1A1LMNAADRB2ADRB1HTR3E
SCHEMBL20336346 0.66 IDO1 (0.43) ALDH1A1LMNAMAPTKDM4ECYP1A2
SCHEMBL8243898 0.66 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL10077099 0.66 HTR6 (0.49) ALDH1A1LMNAMAPTADRB1HTR3E
SCHEMBL28869984 0.65 ADRB1 (0.48) ALDH1A1LMNAADRB2ADRB1KDM4E
SCHEMBL28222649 0.65 HRH4 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2ADRB2
Hydrochloric Acid SCHEMBL22320273 0.65 ALDH1A1 (0.39) ALDH1A1LMNAMAPTADRB2KDM4E

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
EP-2013170-B1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP disclosed
US-7501419-B2 4-Squarylpiperazine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
EP-2013170-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS Brystol-Myers Squibb Company (US) 2009-01-14 EP disclosed
WO-2007127731-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 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 (1 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-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents MAVS, MTAP, SAMHD1 ALDH1A1 2043/4885LMNA 4776/4885MAPT 4166/4885

“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.