SCHEMBL5741204

SCHEMBL5741204

Nc1cc(N2CCC(c3ccc(F)cc3)CC2)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 12/20 0.50
▸ HRH3 Q9Y5N1 4/20 0.50
▸ DHFR P00374 1/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NUDT1 P36639 1/20 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
SCHEMBL5743990 0.86 DHFR (0.53) HRH4HRH3DHFRLMNAMAPT
Hydrochloric Acid SCHEMBL5743802 0.84 DHFR (0.52) HRH4HRH3DHFRLMNAMAPT
SCHEMBL5740772 0.83 SMN1; SMN2 (0.53) HRH4HRH3LMNAMAPTHTT
SCHEMBL5741120 0.80 HRH4 (0.59) HRH4HRH3DHFRLMNAMAPT
SCHEMBL5743624 0.78 SMPD3 (0.53) HRH4HRH3DHFR
SCHEMBL5742735 0.72 MAPT (0.64) HRH4HRH3DHFRLMNAMAPT
SCHEMBL10678810 0.71 HRH4 (0.70) HRH4HRH3LMNAHTTSMN1; SMN2
SCHEMBL30296862 0.71 HRH4 (0.70) HRH4HRH3LMNAHTTSMN1; SMN2
SCHEMBL239723 0.71 ALDH1A1 (0.39) LMNAMAPTHTT
SCHEMBL2797830 0.70 HRH4 (0.68) HRH4HRH3LMNAHTTSMN1; SMN2

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 153/4885DHFR 140/4885

“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.

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