SCHEMBL6303829

SCHEMBL6303829

Cc1ccc(NC(=S)NC2CCCC2N2CCC(Cc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ CCR1 P32246 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 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
SCHEMBL6303831 1.00 POLB (0.44) POLBALDH1A1CYP2C19SMN1; SMN2CYP3A4
SCHEMBL6303723 0.90 SMN1; SMN2 (0.46) POLBALDH1A1CYP2C19SMN1; SMN2CYP3A4
SCHEMBL6303726 0.90 SMN1; SMN2 (0.46) POLBALDH1A1CYP2C19SMN1; SMN2CYP3A4
SCHEMBL6303712 0.89 KMT2A (0.46) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6303713 0.89 KMT2A (0.46) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6304207 0.89 FAAH (0.48) ALDH1A1CYP2C19SMN1; SMN2FAAHMAPT
SCHEMBL6304204 0.89 FAAH (0.48) ALDH1A1CYP2C19SMN1; SMN2FAAHMAPT
SCHEMBL6304100 0.88 TP53 (0.52) ALDH1A1CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL6304097 0.88 TP53 (0.52) ALDH1A1CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL6303668 0.85 KMT2A (0.49) POLBALDH1A1CYP2C19CYP3A4CYP1A2

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
US-6977265-B2 Piperidine CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2005-12-20 — — US disclosed
EP-1453825-A1 N-UREIDO-PIPERIDINES AS ANTAGONISTS VIII FOR CCR-3 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 — — EP disclosed
US-20030229121-A1 Piperidine CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2003-12-11 — — US disclosed
WO-2003045937-A1 N-UREIDO-PIPERIDINES AS ANTAGONISTS VIII FOR CCR-3 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 — — WO 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-20030229121-A1 Piperidine CCR-3 receptor antagonists CCR1, CCR3, CCRL2 POLB 2983/4885ALDH1A1 663/4885CYP2C19 2986/4885

“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.

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