SCHEMBL4833716

SCHEMBL4833716

Cc1cc(Nc2cc(OCCN3CCN(Cc4ccsc4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.44
HTR1B P28222 11/20 0.44
HTR1A P08908 9/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ACP1 P24666 2/20 0.41
TSHR P16473 1/20 0.40
KDR P35968 1/20 0.39
NCF1 P14598 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
SCHEMBL4633738 0.91 HTR1D (0.53) HTR1DHTR1BHTR1AHTTLMNA
SCHEMBL4832197 0.89 HTR1D (0.51) HTR1DHTR1BHTR1AHTTLMNA
SCHEMBL4829986 0.89 ADRA2A (0.52) HTR1DHTR1BHTR1AHTTLMNA
SCHEMBL14279517 0.88 HTR1D (0.48) HTR1DHTR1BHTR1AHTTLMNA
SCHEMBL4832616 0.88 HTR1D (0.46) HTR1DHTR1BHTR1AHTTLMNA
SCHEMBL4828140 0.88 HTT (0.53) HTR1DHTR1BHTR1AHTTLMNA
SCHEMBL4832775 0.88 HTR1D (0.49) HTR1DHTR1BHTR1AHTTLMNA
SCHEMBL14279522 0.87 ADRA2A (0.42) HTR1DHTR1BHTR1AHTTLMNA
SCHEMBL14279496 0.86 HTR1D (0.46) HTR1DHTR1BHTR1AHTTLMNA
SCHEMBL4834061 0.86 HTR1D (0.60) HTR1DHTR1BHTR1AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HTR1D 533/4885HTR1B 342/4885HTR1A 600/4885

“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.