SCHEMBL10077099

SCHEMBL10077099

O=c1c(-c2ccccc2)c(N2CCNCC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.49
HTR1A P08908 3/20 0.49
HTR7 P34969 3/20 0.49
HTR2A P28223 1/20 0.49
HTR5A P47898 1/20 0.49
ADRB1 P08588 3/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR2B P41595 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13899195 0.79 BCL2A1 (0.40) LMNAMAPTHTTALDH1A1HSD17B10
SCHEMBL10078291 0.79 BCL2A1 (0.40) LMNAMAPTHTTALDH1A1HSD17B10
SCHEMBL18394614 0.78 MAPT (0.48) LMNAMAPTHTTALDH1A1TSHR
SCHEMBL10078400 0.74 HRH1 (0.40) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13899176 0.74 ADRB1 (0.44) ADRB1LMNAALDH1A1USP2TSHR
SCHEMBL13899177 0.74 HTR2C (0.43) HTR2AHTR2B
SCHEMBL10077423 0.74 HTR2C (0.43) HTR2AHTR2B
SCHEMBL6050482 0.74 ALDH1A1 (0.55) HTR6MAPTHTTALDH1A1USP2
SCHEMBL29394356 0.74 ALDH1A1 (0.55) HTR6MAPTHTTALDH1A1USP2
SCHEMBL10078401 0.72 TAAR1 (0.50) HTR6HTR1AHTR2AADRB1HTR3E

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 6 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
US-7501419-B2 4-Squarylpiperazine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US 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
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 HTR6 1391/4885HTR1A 2754/4885HTR7 739/4885

“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.