SCHEMBL4597035

SCHEMBL4597035

N#Cc1[c]cccc1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.46
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
HTR6 P50406 3/20 0.42
HTR7 P34969 3/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR5A P47898 2/20 0.42
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
NCF1 P14598 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1D P28221 1/20 0.42

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
SCHEMBL11494913 0.85 ALDH1A1 (0.47) HSD17B10LMNAKDM4EALDH1A1HPGD
SCHEMBL11483967 0.83 ALDH1A1 (0.46) TSHRHSD17B10LMNAKDM4EALDH1A1
SCHEMBL3545362 0.81 KDM4E (0.51) TSHRHSD17B10LMNAKDM4EALDH1A1
SCHEMBL4597032 0.74 DRD2 (0.44) ADRB1DRD2DRD3HTR5AHTR3E
SCHEMBL233169 0.74 ADRB1 (0.58) ADRB1DRD2DRD3HTR6HTR7
Hydrochloric Acid SCHEMBL29882725 0.73 ADRB1 (0.56) ADRB1DRD2DRD3HTR6HTR7
Hydrochloric Acid SCHEMBL20139829 0.73 ADRB1 (0.56) ADRB1DRD2DRD3HTR6HTR7
SCHEMBL27774299 0.71 ADRB1 (0.46) ADRB1DRD2DRD3HTR6HTR7
SCHEMBL15834279 0.70 ADRB1 (0.75) ADRB1DRD2DRD3HTR6HTR7
SCHEMBL28317269 0.70 ALDH1A1 (0.48) ADRB1DRD2DRD3HTR6HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122242-B1 CYANOPHENYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-01-16 EP disclosed
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US disclosed
US-6673799-B1 INHIBITS BINDING TO ANDROGEN RECEPTOR; ANTIANDROGEN YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-01-06 US disclosed
EP-1122242-A1 CYANOPHENYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-08-08 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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 ADRB1 1246/4885DRD2 3233/4885DRD3 2818/4885

“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.