SCHEMBL1870288

SCHEMBL1870288

CCc1ncccc1C(=O)N1CCN(c2cccc(C#N)c2)CC1.c1cc2cc-2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.52
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DHFR P00374 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PHGDH O43175 1/20 0.41
SMO Q99835 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
HCRTR1 O43613 1/20 0.40

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
SCHEMBL8250559 0.81 SLC6A7 (0.51) SLC6A7DRD2DRD3TSHRSMN1; SMN2
SCHEMBL19002652 0.73 DRD2 (0.61) DRD2DRD3SMN1; SMN2MEN1KMT2A
SCHEMBL4763376 0.73 SLC6A7 (0.48) SLC6A7LMNATSHRMEN1KMT2A
SCHEMBL12844141 0.72 LMNA (0.53) LMNATSHRSMN1; SMN2NPSR1MEN1
SCHEMBL1382166 0.72 DRD2 (0.48) SLC6A7DRD2DRD3LMNATSHR
SCHEMBL1382820 0.72 SMO (0.49) SLC6A7DRD2DRD3LMNATSHR
SCHEMBL19049593 0.71 DRD2 (0.59) DRD2DRD3LMNATSHRPHGDH
SCHEMBL1383360 0.71 NOTUM (0.46) SLC6A7DRD2DRD3LMNATSHR
SCHEMBL5763718 0.70 DRD2 (0.60) DRD2DRD3LMNATSHRMAPK1
SCHEMBL6502353 0.70 NOTUM (0.44) SLC6A7DRD2DRD3LMNATSHR

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-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 US disclosed
US-20040220171-A1 1-Aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS INC 2004-11-04 US disclosed
US-20020045613-A1 1-aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-04-18 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 (2 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-20040220171-A1 1-Aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 SLC6A7 2403/4885DRD2 2633/4885DRD3 2646/4885
US-20020045613-A1 1-aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 SLC6A7 2403/4885DRD2 2633/4885DRD3 2646/4885

“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.