SCHEMBL4098792

SCHEMBL4098792

COc1ccc(C)c2c1C(Nc1ccc3cc(N)ccc3n1)CC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.40
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CASP6 P55212 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
CRBN Q96SW2 2/20 0.33
DDB1 Q16531 1/20 0.33
PLAU P00749 1/20 0.33
PFKFB3 Q16875 1/20 0.32
MC4R P32245 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPT P10636 2/20 0.32
PDE10A Q9Y233 1/20 0.32
TTR P02766 1/20 0.31
MCHR1 Q99705 1/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
EHMT2 Q96KQ7 1/20 0.31

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
SCHEMBL3409271 0.83 HTR1A (0.45) HTR1ALMNATDP1MAPTTTR
SCHEMBL3412191 0.82 HTR1A (0.42) HTR1ACRBNDDB1PFKFB3
SCHEMBL4108326 0.81 HTR1A (0.38) HTR1APOLBKDM4ELMNACASP6
SCHEMBL3432589 0.80 MAPT (0.38) POLBLMNAMAPT
SCHEMBL3415253 0.79 NPY1R (0.36) POLBMAPT
SCHEMBL3412785 0.78 PFKFB3 (0.42) HTR1AKDM4ETDP1PFKFB3
SCHEMBL3432566 0.78 HTR1A (0.35) HTR1APOLBKDM4ELMNACASP6
SCHEMBL3412501 0.78 SMN1; SMN2 (0.46)
SCHEMBL4103764 0.76 KDM4E (0.40) HTR1APOLBKDM4ELMNACASP6
SCHEMBL3410142 0.75 HTR1A (0.42) HTR1APOLBKDM4ELMNACASP6

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A HTR1A 4/4885POLB 4179/4885KDM4E 1399/4885

“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.