SCHEMBL4573545

SCHEMBL4573545

NCCCc1cc(I)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.44
IDO1 P14902 1/20 0.41
PNMT P11086 3/20 0.38
SIGMAR1 Q99720 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTPN11 Q06124 1/20 0.33
MPO P05164 1/20 0.33
KIF11 P52732 1/20 0.33
PKM P14618 1/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL3729703 0.79 PNMT (0.54) TAAR1IDO1PNMTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3728173 0.78 PNMT (0.52) TAAR1IDO1PNMTCYP1A2CYP3A4
SCHEMBL12523567 0.77 CA12 (0.45) TAAR1PNMTCYP1A2CYP3A4CYP2D6
SCHEMBL16280185 0.76 IDO1 (0.39) TAAR1IDO1PNMTPKM
SCHEMBL27822370 0.76 IDO1 (0.39) TAAR1IDO1PNMTPKM
SCHEMBL31504500 0.75 TAAR1 (0.75) TAAR1IDO1PNMTCYP1A2CYP3A4
SCHEMBL2025892 0.75 TAAR1 (0.75) TAAR1IDO1PNMTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL17260643 0.74 TAAR1 (0.72) TAAR1IDO1PNMTCYP1A2CYP3A4
SCHEMBL12523559 0.73 TAAR1 (0.53) TAAR1IDO1CYP1A2
SCHEMBL894411 0.73 TAAR1 (0.43) TAAR1IDO1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ TAAR1 3251/4885IDO1 2941/4885PNMT 3898/4885

“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.