SCHEMBL5742403

SCHEMBL5742403

Nc1cc(N2CCC(O)(c3ccccc3)C2)nc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.44
HRH3 Q9Y5N1 1/20 0.44
AR P10275 1/20 0.44
RPS6KB1 P23443 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRCP P42785 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
HTR3A P46098 1/20 0.39
OPRL1 P41146 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
SCD O00767 1/20 0.37

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
SCHEMBL5742837 0.92 HRH4 (0.50) HRH4HRH3USP2LMNATSHR
Hydrochloric Acid SCHEMBL5742635 0.91 HRH4 (0.49) HRH4HRH3USP2LMNATSHR
SCHEMBL5744463 0.84 HRH4 (0.45) HRH4HRH3LMNATSHRHTT
SCHEMBL17979678 0.81 NUDT1 (0.55) HRH4HRH3ARPRCPOPRK1
SCHEMBL17979720 0.81 NUDT1 (0.55) HRH4HRH3ARPRCPOPRK1
SCHEMBL17979675 0.81 NUDT1 (0.55) HRH4HRH3ARPRCPOPRK1
SCHEMBL5741135 0.79 MAPT (0.61) HRH4HRH3USP2LMNATSHR
SCHEMBL17979756 0.77 NUDT1 (0.57) HRH4HRH3USP2LMNATSHR
SCHEMBL17979726 0.77 NUDT1 (0.57) HRH4HRH3USP2LMNATSHR
SCHEMBL17979727 0.77 NUDT1 (0.57) HRH4HRH3USP2LMNATSHR

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
EP-1654249-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2006-05-10 EP claimed
WO-2005014573-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-17 WO claimed
US-20050032810-A1 Novel anthelmintic and insecticidal compositions PHARMACIA AND UPJOHN COMPANY 2005-02-10 US claimed
EP-1654249-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2006-05-10 EP disclosed
WO-2005014573-A1 ANTHELMINTIC AND INSECTICIDE PYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2005-02-17 WO disclosed
US-20050032810-A1 Novel anthelmintic and insecticidal compositions PHARMACIA AND UPJOHN COMPANY 2005-02-10 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-20050032810-A1 Novel anthelmintic and insecticidal compositions ACHE, DHX29, DHX35 HRH4 172/4885HRH3 153/4885AR 4860/4885

“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.