SCHEMBL3545134

SCHEMBL3545134

O=C(c1csc(-c2ccc(-c3ccccc3)cc2)n1)N1CCCC2CCCC=C21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CHRNA7 P36544 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PIN1 Q13526 4/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
USP30 Q70CQ3 1/20 0.40
HPGDS O60760 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
SCHEMBL3535648 0.98 ACKR3 (0.47) ACKR3HTR3EHTR3BCHRNA7HTR3A
SCHEMBL4983913 0.95 ACKR3 (0.45) ACKR3HTR3EHTR3BCHRNA7HTR3A
SCHEMBL3540819 0.93 ACKR3 (0.41) ACKR3HTR3EHTR3BCHRNA7HTR3A
SCHEMBL3538917 0.91 ACKR3 (0.41) ACKR3HTR3EHTR3BCHRNA7HTR3A
SCHEMBL3537642 0.91 ACKR3 (0.38) ACKR3HTR3EHTR3BCHRNA7HTR3A
SCHEMBL3539439 0.90 ALDH1A1 (0.48) ACKR3HTR3EHTR3BCHRNA7HTR3A
SCHEMBL3542690 0.90 RAB9A (0.45) TDP1TLR7
SCHEMBL3537684 0.88 KDM4E (0.44) TDP1TLR7CHEK1
SCHEMBL3538570 0.87 HDAC6 (0.48) HDAC6TLR7CHEK1
SCHEMBL5661785 0.87 ACKR3 (0.38) ACKR3HTR3EHTR3BCHRNA7HTR3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 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-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 ACKR3 3834/4885HTR3E 825/4885HTR3B 705/4885

“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.