SCHEMBL3401099

SCHEMBL3401099

CCn1c(C(=O)C2CCN(C3CCC3)CC2)cnc1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
KDM2B Q8NHM5 6/20 0.39
OPRL1 P41146 1/20 0.38
HTR2C P28335 4/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
UBE2N P61088 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR5 P51681 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL3402312 0.86 HTR2C (0.43) HTR2CALDH1A1KDM4EMEN1KMT2A
SCHEMBL3403662 0.85 ACACB (0.44) HTR2CALDH1A1KDM4EMEN1KMT2A
SCHEMBL3405236 0.81 GAA (0.41) GAAKDM2BOPRL1HTR2CALDH1A1
SCHEMBL3404715 0.80 GAA (0.46) GAAKDM2BHTR2CALDH1A1KDM4E
SCHEMBL3405903 0.77 SIGMAR1 (0.42) ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL3402974 0.77 KDM4E (0.48) HTR2CALDH1A1KDM4EMEN1KMT2A
SCHEMBL3402272 0.76 HTR2C (0.43) HTR2CALDH1A1KDM4EMEN1KMT2A
SCHEMBL3399637 0.75 HTR2C (0.48) HTR2CALDH1A1KDM4EMEN1KMT2A
SCHEMBL3405421 0.74 HTR2C (0.43) HTR2CALDH1A1KDM4EMEN1KMT2A
SCHEMBL3401043 0.74 HTR2C (0.56) HTR2CALDH1A1KDM4EMEN1KMT2A

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 7 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
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 GAA 1659/4885KDM2B 3049/4885OPRL1 171/4885

“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.