SCHEMBL6474706

SCHEMBL6474706

CC(C)(C)c1ccc(N2CCN(CCCN3C(=O)C4CC=CCC4C3=O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.60
HTR1A P08908 7/20 0.48
DRD2 P14416 5/20 0.48
HTR2A P28223 3/20 0.48
HRH3 Q9Y5N1 2/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
HTR6 P50406 2/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
DRD4 P21917 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRB2 P07550 1/20 0.42
CHRM2 P08172 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
Hydrochloric Acid SCHEMBL7099309 0.99 HTR7 (0.59) HTR7HTR1ADRD2HTR2AHRH3
SCHEMBL6474401 0.84 HTR7 (0.60) HTR7HTR1ADRD2HTR2AKDM4E
SCHEMBL6475395 0.84 HTR1A (0.67) HTR7HTR1ADRD2HTR2AALDH1A1
Hydrochloric Acid SCHEMBL7613022 0.83 HTR7 (0.59) HTR7HTR1ADRD2HTR2AKDM4E
Hydrochloric Acid SCHEMBL7606820 0.83 HTR1A (0.65) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL6474033 0.81 HTR7 (0.60) HTR7HTR1ADRD2HTR2AALDH1A1
Hydrochloric Acid SCHEMBL7610245 0.80 HTR7 (0.59) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL6474379 0.80 MAPT (0.64) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL6475262 0.79 HTR7 (0.58) HTR7HTR1ADRD2HTR2AALDH1A1
Hydrochloric Acid SCHEMBL7605817 0.79 MAPT (0.63) HTR7HTR1ADRD2HTR2AALDH1A1

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
EP-1339682-A1 1,4-DISUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS URO-SELECTIVE $G(A)1-ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2003-09-03 EP claimed
US-20020156085-A1 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2002-10-24 US claimed
WO-2002044151-A1 1,4-DISUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS URO-SELECTIVE $G(A)1-ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (IN) 2002-06-06 WO claimed
US-6914064-B2 1,4-Disubstituted piperazine derivatives useful as uro-selective α1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2005-07-05 US disclosed
US-20020156085-A1 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2002-10-24 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 (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-20020156085-A1 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers ADRB1, ADRB2, ADRA1B HTR7 426/4885HTR1A 120/4885DRD2 491/4885

“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.