SCHEMBL10186685

SCHEMBL10186685

CCCc1ccc(Cl)c(CNCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
HTR1D P28221 3/20 0.42
HTR1B P28222 3/20 0.42
HTR2A P28223 3/20 0.42
HTR7 P34969 3/20 0.42
HTR2B P41595 3/20 0.42
HTR5A P47898 3/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 1/20 0.42
CCR5 P51681 1/20 0.40
HTR1E P28566 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SIGMAR1 Q99720 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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
SCHEMBL10186666 0.86 SLC6A4 (0.51) HTR1AHTR1DHTR1BHTR2AHTR7
SCHEMBL8251205 0.85 HTR1A (0.44) HTR1AHTR1DHTR1BHTR2AHTR7
SCHEMBL10186682 0.84 SIGMAR1 (0.36) HTR1AHTR1DHTR1BHTR2AHTR7
SCHEMBL10186664 0.83 MEN1 (0.55) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7637395 0.83 CNR1 (0.45) CNR1CNR2SIGMAR1MEN1KMT2A
SCHEMBL10186676 0.81 LMNA (0.39) CNR1CNR2SIGMAR1MEN1KMT2A
SCHEMBL10186673 0.81 MEN1 (0.49) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL18685158 0.79 BCHE (0.48) HTR1AHTR1DHTR1BHTR2AHTR7
SCHEMBL10186620 0.79 POLB (0.41) SIGMAR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL321307 0.78 CNR1 (0.46) CNR1CNR2SIGMAR1GAAPNMT

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 HTR1A 3776/4885HTR1D 3918/4885HTR1B 3055/4885

“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.