SCHEMBL3398178

SCHEMBL3398178

CCc1ccccc1-c1nc(C)c(C(=O)N2CCN(C3CCCC3)CC2)s1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.54
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
CES2 O00748 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 4/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
OXTR P30559 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
SCHEMBL3399432 0.91 HTR2C (0.59) HTR2CCNR1CES2LMNAL3MBTL1
SCHEMBL13309969 0.91 HTR2C (0.59) HTR2CCNR1CES2LMNAL3MBTL1
SCHEMBL3405829 0.89 HTR2C (0.57) HTR2CCNR1ALDH1A1HPGDCES2
SCHEMBL3400300 0.88 HTR2C (0.56) HTR2CCNR1ALDH1A1HPGDCES2
SCHEMBL3398198 0.87 HTR2C (0.55) HTR2CCNR1ALDH1A1HPGDCES2
SCHEMBL3401746 0.86 HTR2C (0.75) HTR2CCNR1ALDH1A1HPGDCES2
SCHEMBL3400383 0.85 HTR2C (0.53) HTR2CCNR1ALDH1A1HPGDCES2
SCHEMBL3398559 0.85 HTR2C (0.53) HTR2CCNR1ALDH1A1HPGDCES2
SCHEMBL3400125 0.85 HTR2C (0.56) HTR2CCNR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3400254 0.84 HTR2C (0.55) HTR2CCNR1ALDH1A1HPGDCES2

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 416/4885CNR1 35/4885ALDH1A1 916/4885

“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.