SCHEMBL4894656

SCHEMBL4894656

CC#CC(C)Oc1cc(N)c(Cl)cc1C(=O)NC1C2CN(C)CC1CN(C)C2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
HTR3A P46098 5/20 0.48
HTR4 Q13639 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR5A P47898 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL4894649 1.00 ADRA2A (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL4893677 0.99 ADRA2A (0.51) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL4893665 0.99 ADRA2A (0.51) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4885112 0.96 ADRA2A (0.50) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4885122 0.96 ADRA2A (0.50) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4888726 0.95 ADRA2A (0.49) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL4893581 0.95 ADRA2A (0.49) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL4893588 0.95 ADRA2A (0.49) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL4895680 0.94 ADRA2A (0.48) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4893454 0.88 ADRA2A (0.49) ADRA2AADRA2BADRA2CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070944-A1 Novel methods using aminobenzoic acid compounds EISAI CO., LTD. (JP) 2008-03-20 US disclosed
US-20070015789-A1 Novel methods using aminobenzoic acid compounds EISAI CO., LTD. (JP) 2007-01-18 US disclosed
EP-0645391-A2 Aminobenzoic acid derivatives Eisai Co., Ltd. (JP) 1995-03-29 EP 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 (2 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-20070015789-A1 Novel methods using aminobenzoic acid compounds GRIN2B, HTR5A, AADAT ADRA2A 2929/4885ADRA2B 913/4885ADRA2C 3207/4885
US-20080070944-A1 Novel methods using aminobenzoic acid compounds GRIN2B, HTR5A, AADAT ADRA2A 2929/4885ADRA2B 913/4885ADRA2C 3207/4885

“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.