SCHEMBL3405656

SCHEMBL3405656

CCn1c(-c2cccc3ccccc23)nc(Cl)c1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.45
HRH3 Q9Y5N1 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRNA7 P36544 1/20 0.38
LMNA P02545 1/20 0.38
PARP1 P09874 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3402101 0.90 HTR2C (0.53) HTR2CHRH3KDM4ELMNAPARP1
SCHEMBL3405408 0.83 HTR2C (0.47) HTR2CKDM4EALDH1A1LMNAPOLB
SCHEMBL3399744 0.83 HTR2C (0.47) HTR2CKDM4EALDH1A1LMNAPOLB
SCHEMBL3400970 0.81 PARP1 (0.42) HTR2CHRH3LMNAPARP1
SCHEMBL3403551 0.79 KDM4E (0.44) HTR2CKDM4EALDH1A1
SCHEMBL3402590 0.78 HTR2C (0.56) HTR2CKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3399942 0.78 HTR2C (0.42) HTR2CHRH3LMNA
SCHEMBL3402362 0.76 MAPK1 (0.51) KDM4EALDH1A1HSD17B10LMNA
SCHEMBL3401079 0.74 HTR2C (0.43) HTR2CLMNA
SCHEMBL3401043 0.73 HTR2C (0.56) HTR2CKDM4EALDH1A1LMNAPOLB

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 416/4885HRH3 1/4885KDM4E 3449/4885

“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.