SCHEMBL5744463

SCHEMBL5744463

COc1ccc(C2(O)CCN(c3cc(N)nc(N)n3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.45
HRH3 Q9Y5N1 1/20 0.43
DYRK1A Q13627 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
SIGMAR1 Q99720 3/20 0.39
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 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
SCHEMBL5741147 0.93 HRH4 (0.49) HRH4HRH3DYRK1AOPRM1OPRD1
SCHEMBL5742403 0.84 HRH4 (0.44) HRH4HRH3OPRM1OPRD1OPRK1
SCHEMBL5742837 0.76 HRH4 (0.50) HRH4HRH3OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5742635 0.75 HRH4 (0.49) HRH4HRH3OPRM1OPRD1OPRK1
SCHEMBL5742356 0.75 HRH4 (0.59) HRH4HRH3DYRK1AALDH1A1KMT2A
SCHEMBL5740772 0.71 SMN1; SMN2 (0.53) HRH4HRH3DYRK1ALMNAMEN1
SCHEMBL8080268 0.70 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL17979764 0.69 NUDT1 (0.46) HRH4HRH3
SCHEMBL17979783 0.68 NUDT1 (0.45) HRH4
SCHEMBL5743314 0.68 LMNA (0.55) HRH4HRH3OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 153/4885DYRK1A 4505/4885

“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.