SCHEMBL5655112

SCHEMBL5655112

CCCn1cnnc1N(C)Cc1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ADORA2A P29274 1/20 0.33
MAP4K1 Q92918 4/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KEAP1 Q14145 1/20 0.31
PSMD14 O00487 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP19A1 P11511 2/20 0.31
S1PR1 P21453 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
SCHEMBL5656313 0.79 MAPT (0.40) MAPTADORA2ALMNAPKMSMN1; SMN2
SCHEMBL5655800 0.75 ALDH1A1 (0.38) MAPTADORA2AMAP4K1SMN1; SMN2PSMD14
SCHEMBL5656565 0.72 NPC1 (0.43) ADORA2ASMN1; SMN2GFERCYP19A1ADORA1
SCHEMBL5657590 0.69 RAB9A (0.40) MAPTLMNAPKMSMN1; SMN2ALDH1A1
SCHEMBL5655116 0.69 TMIGD3 (0.42) MAPTADORA2ASMN1; SMN2CYP3A4GFER
SCHEMBL6103303 0.65 NPC1 (0.36) MAPTADORA2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5657907 0.65 TLR8 (0.39) MAPTADORA2APSMD14ALDH1A1CYP3A4
SCHEMBL3148019 0.64 MAPT (0.52) MAPTPSMD14ALDH1A1CYP3A4TSHR
SCHEMBL5655790 0.63 MEN1 (0.36) CYP19A1
SCHEMBL21558717 0.63 CYP19A1 (0.30) CYP19A1

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-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 MAPT 3095/4885ADORA2A 546/4885MAP4K1 3164/4885

“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.