SCHEMBL3401252

SCHEMBL3401252

Cc1ccc(F)cc1-c1nc(C)c(C(=O)N2CCN(C3CCCC3)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 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
SCHEMBL3405439 0.92 HTR2C (0.46) HTR2CALDH1A1HPGDHTTLMNA
SCHEMBL3400495 0.92 HTR2C (0.46) HTR2CALDH1A1HPGDHTTLMNA
SCHEMBL3402597 0.90 HTR2C (0.46) HTR2CALDH1A1HPGDHTTLMNA
SCHEMBL3402305 0.90 HTR2C (0.48) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3405124 0.89 NPC1 (0.45) HTR2CALDH1A1HPGDHTTRAB9A
SCHEMBL3399351 0.86 HTR2C (0.49) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3405297 0.86 HTR2C (0.43) HTR2CALDH1A1HPGDHTTLMNA
SCHEMBL3400395 0.85 CNR1 (0.52) HTR2CALDH1A1HPGDHTTLMNA
SCHEMBL3405829 0.85 HTR2C (0.57) HTR2CALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3400300 0.85 HTR2C (0.56) HTR2CALDH1A1HPGDHTTLMNA

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.