SCHEMBL3971537

SCHEMBL3971537

CCC(CC)N1CCN(c2ccc3cc(OC)ccc3n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.64
ACACB O00763 1/20 0.46
HTR3A P46098 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
NCF1 P14598 1/20 0.43
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
NQO1 P15559 1/20 0.42
HTR1A P08908 3/20 0.41
PHGDH O43175 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39

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 SCHEMBL3972517 0.99 HRH3 (0.63) HRH3ACACBHTR3AHRH4NCF1
SCHEMBL3973187 0.86 HRH3 (0.67) HRH3ACACBHTR3AHRH4NCF1
Hydrochloric Acid SCHEMBL3972282 0.85 HRH3 (0.65) HRH3ACACBHTR3AHRH4NCF1
SCHEMBL3967579 0.84 HRH3 (0.62) HRH3HTR3AHRH4ALDH1A1NPC1
SCHEMBL4215600 0.83 HRH3 (0.67) HRH3HTR3AHRH4NCF1ALDH1A1
Hydrochloric Acid SCHEMBL3978014 0.82 HRH3 (0.61) HRH3HTR3AHRH4ALDH1A1NPC1
SCHEMBL25488441 0.80 HRH3 (0.69) HRH3ACACBHTR3AHRH4NCF1
SCHEMBL3971032 0.79 HRH3 (1.00) HRH3HTR3AHRH4ALDH1A1NPC1
SCHEMBL5912588 0.78 HRH3 (0.66) HRH3HTR3ANCF1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3976272 0.78 HRH3 (0.97) HRH3HTR3AHRH4ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO 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 (2 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885ACACB 3440/4885HTR3A 38/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885ACACB 3440/4885HTR3A 38/4885

“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.