SCHEMBL5355137

SCHEMBL5355137

CN1CCN(S(=O)(=O)c2ccc3c(c2)CCN3)CC1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ATM Q13315 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.50
BRD4 O60885 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL31130054 0.87 HTR2C (0.68) HTR2CHTR2BTSHRCASP1CASP7
SCHEMBL30555216 0.87 HTR2C (0.61) HTR2CHTR2BMAPTBRD4
SCHEMBL1156335 0.87 HTR2C (0.68) HTR2CHTR2BTSHRCASP1CASP7
SCHEMBL1155852 0.85 MEN1 (0.55) SMN1; SMN2HSD17B10HTTMAPTPOLB
SCHEMBL5635199 0.84 GAA (0.54) HTR2CHTR2BMAPTRAB9A
SCHEMBL15711202 0.80 MAPT (0.64) HTR2CHTR2BATMCASP1CASP7
SCHEMBL7024946 0.80 KCNH2 (0.53) HTR2CTSHRMAPT
SCHEMBL5361852 0.80 TGM2 (0.52) TSHRSMN1; SMN2
SCHEMBL1156423 0.80 POLB (0.52) HTR2CHTR2BMAPTPOLBKDM4E
SCHEMBL2280522 0.79 MEN1 (0.68) SMN1; SMN2HTTMAPT

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
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US disclosed
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US disclosed
US-7169788-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-01-30 US disclosed
US-20040220216-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-11-04 US disclosed
WO-2003037252-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-08 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 (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-20040220216-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 HTR2C 4360/4885HTR2B 4480/4885TSHR 1987/4885

“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.