SCHEMBL4803041

SCHEMBL4803041

CCCCCCNc1nc2c(s1)CCCC2C(=O)NCCCN1CCCCC1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC2A1 P11166 1/20 0.38
GAA P10253 1/20 0.37
RAD52 P43351 1/20 0.37
THRB P10828 1/20 0.36
NAAA Q02083 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4803813 0.78 RAB9A (0.48) ALDH1A1L3MBTL1RAB9ANPC1CYP2D6
SCHEMBL3166173 0.77 ALDH1A1 (0.37) ALDH1A1NAAA
SCHEMBL4800095 0.76 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1RAB9ANPC1CYP2D6
SCHEMBL9541617 0.69 OPRD1 (0.63) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL9543047 0.68 OPRD1 (0.62) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL3260207 0.68 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1TSHRLMNA
SCHEMBL29252492 0.66 S1PR1 (0.46) ALDH1A1L3MBTL1CYP2D6CYP3A4TSHR
SCHEMBL29252044 0.66 S1PR1 (0.46) ALDH1A1L3MBTL1CYP2D6CYP3A4TSHR
SCHEMBL29251981 0.66 S1PR1 (0.46) ALDH1A1L3MBTL1CYP2D6CYP3A4TSHR
SCHEMBL29252616 0.66 S1PR1 (0.46) ALDH1A1L3MBTL1CYP2D6CYP3A4TSHR

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 ALDH1A1 963/4885L3MBTL1 3432/4885RAB9A 3147/4885

“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.