SCHEMBL4804431

SCHEMBL4804431

CN1CCN(C(=O)C2CCCc3sc(NC(=O)c4ccc5ccccc5c4)nc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
HPGD P15428 3/20 0.45
TSHR P16473 1/20 0.45
ROCK2 O75116 3/20 0.43
KMT2A Q03164 4/20 0.43
TRPV4 Q9HBA0 2/20 0.43
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 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
SCHEMBL4802777 0.87 F2 (0.43) NPC1RAB9AHPGDROCK2KMT2A
SCHEMBL4805581 0.84 RORC (0.45) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL3157431 0.84 NPC1 (0.48) NPC1RAB9AHPGDTSHRKMT2A
SCHEMBL4801764 0.80 HRH3 (0.45) NPC1RAB9AHPGDROCK2KMT2A
SCHEMBL4804705 0.80 CYP1A2 (0.46) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL3166488 0.78 MAPT (0.51) NPC1RAB9AHPGDTSHRKMT2A
SCHEMBL3166045 0.78 RAB9A (0.53) NPC1RAB9AHPGDTSHRROCK2
SCHEMBL3166528 0.75 MAPT (0.50) NPC1RAB9AHPGDROCK2KMT2A
SCHEMBL3157344 0.73 ADORA1 (0.47) KMT2ATP53MAPTSMN1; SMN2
SCHEMBL3164448 0.73 CHRM4 (0.42) NPC1RAB9AHPGDKMT2AMEN1

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 3147/4885HPGD 586/4885

“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.