SCHEMBL1963364

SCHEMBL1963364

CC(C)NC(=O)n1nc(C(=O)N[C@H]2CN3CCC2CC3)c2cc(N(C(=O)O)C(C)C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.40
CHRNA7 P36544 5/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM2 P08172 2/20 0.37
ADRA2A P08913 2/20 0.37
CHRM1 P11229 2/20 0.37
ADRA2B P18089 2/20 0.37
CHRM3 P20309 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR4 Q13639 2/20 0.37
CHRM4 P08173 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
HTR1D P28221 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
SCHEMBL2787015 0.84 CHRNA7 (0.43) HTR3ACHRNA7CYP1A2CYP2C9ALDH1A1
SCHEMBL12315195 0.81 CHRNA7 (0.41) HTR3ACHRNA7CYP1A2CYP2C9ALDH1A1
SCHEMBL5989069 0.79 HTR3A (0.44) HTR3ACHRNA7CYP1A2CYP2C9ALDH1A1
SCHEMBL1964300 0.78 CHRNA7 (0.63) HTR3ACHRNA7
SCHEMBL492413 0.73 CHRNA7 (0.58) HTR3ACHRNA7
SCHEMBL492411 0.73 CHRNA7 (0.58) HTR3ACHRNA7
SCHEMBL1964592 0.71 CHRNA7 (0.45) HTR3ACHRNA7CYP2C9ALDH1A1CYP3A4
SCHEMBL12582692 0.70 HTR3A (0.47) HTR3ACHRNA7ALDH1A1CYP3A4TSHR
SCHEMBL1963583 0.69 HTR3A (0.45) HTR3ACHRNA7CYP1A2CYP2C19
SCHEMBL12315177 0.69 HTR3A (0.45) HTR3ACHRNA7CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2013-08-22 US disclosed
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 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 (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-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 HTR3A 352/4885CHRNA7 1/4885CYP1A2 935/4885

“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.