SCHEMBL2839552

SCHEMBL2839552

CN1Cc2sccc2C(Oc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.38
MCHR1 Q99705 1/20 0.38
EPHX2 P34913 1/20 0.36
DRD2 P14416 1/20 0.36

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
Hydrochloric Acid SCHEMBL2836882 0.83 NPC1 (0.41) SLC6A4SLC6A2SLC6A3HRH3KMT2A
SCHEMBL3579002 0.83 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3HRH3MEN1
SCHEMBL10954592 0.81 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HRH3MEN1
SCHEMBL2839830 0.79 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3HRH3NPC1
SCHEMBL2840442 0.77 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3NPC1RAB9A
Hydrochloric Acid SCHEMBL3575325 0.77 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3HRH3MEN1
SCHEMBL2843946 0.76 NPC1 (0.42) SLC6A4SLC6A2SLC6A3HRH3NPC1
SCHEMBL9797340 0.74 HDAC1 (0.41) SLC6A4SLC6A2SLC6A3HRH3MEN1
Hydrochloric Acid SCHEMBL2879263 0.74 HTR2A (0.41) MCHR1
Fumaric Acid SCHEMBL10956074 0.73 LMNA (0.41) SLC6A4SLC6A2SLC6A3HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 SLC6A4 185/4885SLC6A2 196/4885SLC6A3 118/4885

“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.