SCHEMBL5463308

SCHEMBL5463308

CC1CN(c2ncccc2Cl)CCN1c1nc(Nc2ccc(F)c(F)c2)nc(N2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
TRPV1 Q8NER1 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
JAK3 P52333 1/20 0.45
NTRK2 Q16620 1/20 0.45
CAMK2A Q9UQM7 1/20 0.45
MAPT P10636 3/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5793845 1.00 TDP1 (0.52) TDP1TRPV1SMN1; SMN2TSHRPIK3CA
SCHEMBL5441964 0.91 CTSL (0.51) TDP1TRPV1SMN1; SMN2PIK3CAMTOR
SCHEMBL14581611 0.91 CTSL (0.51) TDP1TRPV1SMN1; SMN2PIK3CAMTOR
SCHEMBL5448835 0.90 TDP1 (0.58) TDP1TRPV1SMN1; SMN2TSHRPIK3CA
SCHEMBL5452283 0.87 TDP1 (0.43) TDP1SMN1; SMN2TSHRMAPTUSP2
SCHEMBL5795345 0.87 TDP1 (0.43) TDP1SMN1; SMN2TSHRMAPTUSP2
SCHEMBL5451291 0.84 TRPV1 (0.46) TRPV1
SCHEMBL14581609 0.84 TRPV1 (0.46) TRPV1
SCHEMBL5455053 0.81 LMNA (0.58) TDP1SMN1; SMN2TSHRMAPTLMNA
SCHEMBL3881787 0.81 TRPV1 (0.47) TRPV1PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US claimed

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-20070043049-A1 Substituted heterocyclic diarylamine analogues GPR35, NPY1R, BDKRB1 TDP1 2752/4885TRPV1 402/4885SMN1; SMN2 2257/4885

“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.