Sugi Predict

Sugi Predict / Compounds / SCHEMBL7002641

SCHEMBL7002641

SCHEMBL7002641

Cc1ccc([C@@H](C)N)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.56
▸ CYP2A6 P11509 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ LMNA P02545 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ PNMT P11086 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 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
SCHEMBL12061463 1.00 CYP1A2 (0.56) CYP1A2CYP2A6ALDH1A1CYP2D6LMNA
Hydrochloric Acid SCHEMBL2150224 0.98 CYP1A2 (0.54) CYP1A2CYP2A6ALDH1A1CYP2D6LMNA
SCHEMBL25978841 0.87 CYP1A2 (0.56) CYP1A2CYP2A6ALDH1A1CYP2D6LMNA
SCHEMBL19676909 0.83 CYP1A2 (0.56) CYP1A2CYP2A6ALDH1A1TSHRKDM4E
SCHEMBL7833173 0.82 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1LMNACYP3A4
SCHEMBL7007166 0.79 CYP1A2 (0.65) CYP1A2CYP2A6ALDH1A1LMNACYP3A4
SCHEMBL12061479 0.78 CYP1A2 (0.56) CYP1A2CYP2A6ALDH1A1CYP2D6LMNA
SCHEMBL14231927 0.78 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1
SCHEMBL19665109 0.78 CYP1A2 (0.50) CYP1A2CYP2A6LMNAKDM4EADRA2A
SCHEMBL7003988 0.77 PDE2A (0.43) CYP1A2ALDH1A1CYP2D6LMNACYP3A4

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-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 — — US disclosed
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 — — US disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 — — US disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 — — US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 — — US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 — — US disclosed
WO-2010021351-A1 CYCLOALKYLAMINE DERIVATIVE 第一三共株式会社 (JP) 2010-02-25 — — 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 (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-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL CYP1A2 3564/4885CYP2A6 2142/4885ALDH1A1 3143/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL CYP1A2 3564/4885CYP2A6 2142/4885ALDH1A1 3143/4885

“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.