SCHEMBL2955834

SCHEMBL2955834

O=S(=O)(c1ccccc1Cl)N1CCN(C2CCCCC2O)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.50
FAAH O00519 2/20 0.50
CHRM4 P08173 5/20 0.49
CHRM2 P08172 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
CCR1 P32246 1/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2955831 1.00 SLC18A3 (0.50) SLC18A3FAAHCHRM4CHRM2CHRM5
SCHEMBL2955829 1.00 SLC18A3 (0.50) SLC18A3FAAHCHRM4CHRM2CHRM5
SCHEMBL2950391 0.97 FAAH (0.50) SLC18A3FAAHCHRM4CCR1
SCHEMBL2950390 0.97 FAAH (0.50) SLC18A3FAAHCHRM4CCR1
SCHEMBL2950387 0.97 FAAH (0.50) SLC18A3FAAHCHRM4CCR1
SCHEMBL2962880 0.83 ALDH1A1 (0.64) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL2956566 0.82 ALDH1A1 (0.67) CHRM4CCR1CYP2C9TSHR
SCHEMBL2953459 0.80 CCR1 (0.60) FAAHCHRM4CCR1
SCHEMBL10723724 0.79 CHRM4 (0.64) FAAHCHRM4CYP2C9TSHRSMN1; SMN2
SCHEMBL2950540 0.77 CCR1 (0.61) CHRM4CHRM2CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 SLC18A3 1825/4885FAAH 734/4885CHRM4 4346/4885

“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.