SCHEMBL4285944

SCHEMBL4285944

OC(c1ccc[c]c1C(F)(F)F)N1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.35
SLC6A2 P23975 5/20 0.35
TACR1 P25103 7/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 2/20 0.34
KCNH2 Q12809 2/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2C P28335 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRD1 P41143 2/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL4285950 0.78 SLC6A4 (0.43) SLC6A4SLC6A2TACR1MEN1KMT2A
SCHEMBL27774299 0.72 ADRB1 (0.46) CYP2D6HTR3EHTR3BALDH1A1HTR1D
SCHEMBL4764069 0.70 MEN1 (0.43) SLC6A4SLC6A2MEN1KMT2ACYP2D6
SCHEMBL1064623 0.68
SCHEMBL28049487 0.67 MC4R (0.36) SLC6A4SLC6A2TACR1CYP2D6
SCHEMBL16951677 0.67 GABRA1 (0.35) SLC6A2HTR2C
SCHEMBL14938825 0.65 CHRM2 (0.40) SLC6A4SLC6A2MEN1KMT2ACYP2D6
SCHEMBL4764075 0.64 MEN1 (0.43) SLC6A4SLC6A2MEN1KMT2ACYP2D6
SCHEMBL10385675 0.63 MEN1 (0.66) SLC6A4SLC6A2MEN1KMT2ACYP2D6
SCHEMBL7251985 0.63 HTR2C (0.61) SLC6A4SLC6A2HTR2CSIGMAR1

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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 SLC6A4 2132/4885SLC6A2 2128/4885TACR1 212/4885

“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.