SCHEMBL4595865

SCHEMBL4595865

CC1CN(c2ccc(C#N)c(OCCN3CCOCC3)c2)C(C)CN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
BRCA1 P38398 1/20 0.40
HTT P42858 1/20 0.40
HBB P68871 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
IDH1 O75874 2/20 0.40
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 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
SCHEMBL4595870 1.00 HTR1A (0.44) HTR1AHTR1DHTR1BMEN1USP2
SCHEMBL4595868 1.00 HTR1A (0.44) HTR1AHTR1DHTR1BMEN1USP2
SCHEMBL4597608 0.83 AR (0.38) HTR1AHTR1DHTR1B
SCHEMBL4597606 0.83 AR (0.38) HTR1AHTR1DHTR1B
SCHEMBL4597617 0.83 AR (0.38) HTR1AHTR1DHTR1B
SCHEMBL15140228 0.82 AR (0.36) HTR1AHTR1DHTR1BIDH1
SCHEMBL7776515 0.79 MEN1 (0.41) HTR1AHTR1DHTR1BMEN1USP2
SCHEMBL3560286 0.78 AR (0.42) USP2ALDH1A1
SCHEMBL4597227 0.78 AR (0.42) USP2ALDH1A1
SCHEMBL4597229 0.78 AR (0.42) USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US claimed
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 HTR1A 3208/4885HTR1D 2350/4885HTR1B 2867/4885

“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.