SCHEMBL6230640

SCHEMBL6230640

[CH2]CCSCc1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CHRM2 P08172 2/20 0.44
CHRM1 P11229 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
AOC3 Q16853 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL28403191 0.85 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL10952345 0.82 TAAR1 (0.59) IDO1TAAR1CHRM2CHRM1ALDH1A1
Hydrochloric Acid SCHEMBL11700201 0.81 TAAR1 (0.58) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL22838497 0.79 IDO1 (0.50) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL6720051 0.79 BCHE (0.46) CHRM2CHRM1MAPTSMN1; SMN2BCHE
Biphenyl SCHEMBL8131643 0.78 ALDH1A1 (0.50) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL515179 0.77 IDO1 (0.52) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL7341529 0.77 IDO1 (0.55) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL9193543 0.76 CYP1A2 (0.32) SMN1; SMN2
SCHEMBL515180 0.75 IDO1 (0.53) IDO1TAAR1CHRM2CHRM1ALDH1A1

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
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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 (2 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN IDO1 4079/4885TAAR1 2213/4885CHRM2 4480/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 IDO1 4197/4885TAAR1 2630/4885CHRM2 4588/4885

“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.