SCHEMBL4597032

SCHEMBL4597032

N#Cc1ccc[c]c1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38

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
SCHEMBL3545361 0.81 KDM4E (0.44) ALDH1A1KDM4EROCK2ROCK1CDC42BPB
SCHEMBL2430180 0.75 ADRB1 (0.53) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL4597035 0.74 ADRB1 (0.46) DRD2DRD3ALDH1A1KDM4ELMNA
SCHEMBL233169 0.74 ADRB1 (0.58) DRD2DRD3ALDH1A1KDM4EROCK2
Hydrochloric Acid SCHEMBL29882725 0.73 ADRB1 (0.56) DRD2DRD3ALDH1A1KDM4EROCK2
Hydrochloric Acid SCHEMBL20139829 0.73 ADRB1 (0.56) DRD2DRD3ALDH1A1KDM4EROCK2
SCHEMBL5045086 0.71 HTR7 (0.58) ALDH1A1HPGDHTR3EHTR3BHTR3A
SCHEMBL18398017 0.71 HTR2C (0.51) DRD2DRD3SLC6A2SLC6A4LMNA
SCHEMBL28317269 0.70 ALDH1A1 (0.48) DRD2DRD3ALDH1A1ROCK2ROCK1
SCHEMBL232795 0.69 ALDH1A1 (0.53) DRD2DRD3ALDH1A1KDM4EROCK2

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 DRD2 3233/4885DRD3 2818/4885ALDH1A1 1496/4885

“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.