SCHEMBL21849299

SCHEMBL21849299

CCCc1cc(C(C)(C)C)cc(C)c1NN

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.42
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
HTR1B P28222 2/20 0.35
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
Hydrochloric Acid SCHEMBL26097882 0.77 POLB (0.56) HTR1DPOLBHPGDTSHRRAB9A
SCHEMBL17500086 0.73 CYP2C19 (0.49) HTR1DPOLBHTR1BCYP2C19CYP1A2
SCHEMBL19196801 0.72 ALDH1A1 (0.43) HTR1DHPGDHTR1BCYP2C19CYP1A2
SCHEMBL21449928 0.71 CYP2D6 (0.41) HTR1DHPGDTSHRHTR1BCYP2C19
SCHEMBL20886405 0.70 ALDH1A1 (0.31) ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL20000789 0.69 ALDH1A1 (0.40) HTR1DHPGDHTR1BCYP2C19CYP1A2
SCHEMBL26802829 0.68 HTR1D (0.45) HTR1DPOLBHPGDTSHRHTR1B
SCHEMBL17835019 0.66 RAPGEF4 (0.57) HTR1DPOLBHPGDTSHRRAB9A
SCHEMBL25468639 0.64 POLB (0.40) HTR1DPOLBHPGDTSHRRAB9A
SCHEMBL9683683 0.64 POLB (0.61) HTR1DPOLBHPGDTSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HTR1D 400/4885POLB 2574/4885HPGD 1080/4885

“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.