SCHEMBL3971448

SCHEMBL3971448

CCC(CC)N1CCN(c2cc(C)c3ccccc3n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
KDM4E B2RXH2 6/20 0.66
GAA P10253 5/20 0.66
L3MBTL1 Q9Y468 2/20 0.64
ACHE P22303 1/20 0.64
HRH3 Q9Y5N1 1/20 0.64
ALDH1A1 P00352 7/20 0.61
HPGD P15428 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ADRB1 P08588 1/20 0.61
NCF1 P14598 1/20 0.61
POLB P06746 1/20 0.57
ALOX12 P18054 1/20 0.57
MAPT P10636 2/20 0.57
EGFR P00533 1/20 0.54
HTR3A P46098 2/20 0.48
CYP1A2 P05177 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45
GLA P06280 1/20 0.45

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 SCHEMBL3971486 0.99 KMT2A (0.65) KMT2AKDM4EGAAL3MBTL1ACHE
SCHEMBL3971612 0.84 EGFR (0.51) KMT2AKDM4EGAAL3MBTL1ACHE
SCHEMBL3965636 0.83 HRH3 (0.58) KMT2AKDM4EGAAL3MBTL1ACHE
Hydrochloric Acid SCHEMBL3972947 0.83 EGFR (0.50) KMT2AKDM4EGAAL3MBTL1ACHE
SCHEMBL5910684 0.82 KMT2A (0.72) KMT2AKDM4EGAAL3MBTL1ACHE
Hydrochloric Acid SCHEMBL3977169 0.82 HRH3 (0.57) KMT2AKDM4EGAAL3MBTL1ACHE
SCHEMBL5910282 0.80 KMT2A (1.00) KMT2AKDM4EGAAL3MBTL1ACHE
SCHEMBL6509689 0.80 KMT2A (0.78) KMT2AKDM4EGAAL3MBTL1ACHE
SCHEMBL26723750 0.80 KDM4E (1.00) KMT2AKDM4EGAAL3MBTL1ACHE
SCHEMBL14975993 0.79 KDM4E (1.00) KMT2AKDM4EGAAL3MBTL1ACHE

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 KMT2A 301/4885KDM4E 1574/4885GAA 2437/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 KMT2A 301/4885KDM4E 1574/4885GAA 2437/4885

“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.