SCHEMBL3403840

SCHEMBL3403840

COc1cccc(OC)c1-c1nc(C)c(C(=O)N2CCN(C3CCCC3)CC2)s1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
CNR1 P21554 1/20 0.44
ABCB1 P08183 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3405636 0.91 HTR2C (0.51) HTR2CALDH1A1CNR1MEN1KMT2A
SCHEMBL3404675 0.91 HTR2C (0.51) HTR2CALDH1A1CNR1MEN1KMT2A
SCHEMBL3400125 0.89 HTR2C (0.56) HTR2CALDH1A1HPGDRAB9ANPC1
SCHEMBL3405140 0.89 HTR2C (0.52) HTR2CALDH1A1HPGDRAB9ANPC1
SCHEMBL3405777 0.87 HTR2C (0.50) HTR2CALDH1A1HPGDRAB9ACNR1
SCHEMBL3404938 0.85 HTR2C (0.48) HTR2CALDH1A1HPGDRAB9ACNR1
SCHEMBL3404849 0.84 TSHR (0.50) ALDH1A1HPGDRAB9ANPC1PKM
SCHEMBL3398454 0.84 MAPK1 (0.51) HTR2CALDH1A1HPGDRAB9ANPC1
SCHEMBL3405124 0.84 NPC1 (0.45) HTR2CALDH1A1HPGDRAB9ANPC1
SCHEMBL3398946 0.84 PKM (0.48) HTR2CALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 HTR2C 416/4885ALDH1A1 916/4885HPGD 1057/4885

“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.