SCHEMBL4799692

SCHEMBL4799692

CN1CCCC1CCNC(=O)C1CCCc2sc(NC(=O)COc3ccc(F)cc3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MAPT P10636 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ACKR3 P25106 2/20 0.41
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ GLS O94925 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CHRM3 P20309 2/20 0.37
▸ CYP1A2 P05177 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
SCHEMBL3165921 0.80 NPC1 (0.66) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL4798134 0.78 ACKR3 (0.46) ACKR3ALDH1A1GLS
SCHEMBL4803813 0.77 RAB9A (0.48) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL3162896 0.74 NPC1 (0.54) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL3172806 0.74 RAB9A (0.66) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL3166045 0.71 RAB9A (0.53) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL3173967 0.67 RAB9A (0.64) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL12407146 0.66 CACNA1G (0.48) ACKR3PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL4796832 0.65 RAB9A (0.45) NPC1RAB9AMAPTKDM4ETP53
SCHEMBL4798579 0.65 ALDH1A1 (0.53) NPC1RAB9AMAPTKDM4ETP53

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-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 — — US claimed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 — — US claimed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 — — US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 — — 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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 NPC1 2506/4885RAB9A 3147/4885MAPT 379/4885

“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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