SCHEMBL1991700

SCHEMBL1991700

CCOC(=O)Cc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.71
HTR3A P46098 7/20 0.57
MEN1 O00255 1/20 0.53
MAPK10 P53779 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MCHR1 Q99705 1/20 0.49

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
SCHEMBL1993141 0.89 HRH4 (0.56) HRH4MEN1KMT2AKDM4EALDH1A1
SCHEMBL1991125 0.88 HRH4 (0.55) HRH4MEN1KMT2AKDM4EALDH1A1
SCHEMBL1994327 0.87 HRH4 (0.54) HRH4MEN1KMT2AKDM4EALDH1A1
SCHEMBL1991112 0.85 HRH4 (0.65) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL3599681 0.83 HRH4 (1.00) HRH4HTR3A
SCHEMBL1996973 0.80 HRH4 (0.48) HRH4MEN1MAPK10KMT2AALDH1A1
SCHEMBL2433981 0.79 HRH4 (0.72) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL2031142 0.77 HRH4 (0.54) HRH4HTR3AMEN1KMT2AALDH1A1
SCHEMBL1996197 0.77 HRH4 (0.45) HRH4MEN1KMT2AKDM4E
SCHEMBL1990169 0.76 HRH4 (0.47) HRH4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO HRH4 249/4885HTR3A 1075/4885MEN1 427/4885

“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.