SCHEMBL4681041

SCHEMBL4681041

O=C(NCCCl)Oc1ccc(CSC(=O)N2CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
KDM1A O60341 1/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
MGLL Q99685 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SLC7A5 Q01650 1/20 0.33

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
Hydrochloric Acid SCHEMBL4681138 0.99 FAAH (0.38) FAAHTPSAB1TPSD1TPSG1TAAR1
SCHEMBL4678512 0.89 MGLL (0.41) FAAHMGLL
SCHEMBL4684682 0.87 MGLL (0.50) MGLL
SCHEMBL4681022 0.86 TPSAB1 (0.39) FAAHTPSAB1TPSD1TPSG1KDM1A
Hydrochloric Acid SCHEMBL4679268 0.86 MGLL (0.49) MGLL
Hydrochloric Acid SCHEMBL4681632 0.85 TPSAB1 (0.38) FAAHTPSAB1TPSD1TPSG1KDM1A
SCHEMBL5881504 0.83 ITGB1 (0.39) FAAHTPSAB1TPSD1TPSG1KDM1A
SCHEMBL905850 0.83 NPC1 (0.47) FAAHNPC1RAB9AMGLL
Hydrochloric Acid SCHEMBL4681418 0.83 ITGB1 (0.39) FAAHTPSAB1TPSD1TPSG1KDM1A
Hydrochloric Acid SCHEMBL4677737 0.83 NPC1 (0.46) FAAHNPC1RAB9AMGLL

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
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 FAAH 1290/4885TPSAB1 949/4885TPSD1 836/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 FAAH 1290/4885TPSAB1 949/4885TPSD1 836/4885

“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.