SCHEMBL7119089

SCHEMBL7119089

C(CC1CCNCC1)CN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 5/20 0.51
KEAP1 Q14145 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
GNAI3 P08754 4/20 0.40
GNAI1 P63096 4/20 0.40
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 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
SCHEMBL7887988 0.95 GNAO1 (0.54) GNAO1KEAP1SMN1; SMN2ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8901169 0.93 GNAO1 (0.56) GNAO1KEAP1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2238689 0.89 GNAO1 (0.46) GNAO1KEAP1SMN1; SMN2ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6407048 0.87 GNAO1 (0.49) GNAO1KEAP1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7128349 0.83 GNAO1 (0.56) GNAO1HRH3GNAI3GNAI1ITGB3
SCHEMBL5848080 0.83 GNAO1 (0.56) GNAO1HRH3GNAI3GNAI1ITGB3
SCHEMBL9824369 0.81 GNAO1 (0.54) GNAO1HRH3GNAI3GNAI1ITGB3
SCHEMBL7122133 0.81 GNAO1 (0.54) GNAO1HRH3GNAI3GNAI1ITGB3
SCHEMBL7895241 0.81 ALDH1A1 (0.57) KEAP1SMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL9675526 0.80 NAAA (0.45) KEAP1SMN1; SMN2ALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277508-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-09-07 US disclosed
EP-4205741-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-07-05 EP disclosed
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 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-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 GNAO1 695/4885KEAP1 1613/4885SMN1; SMN2 1776/4885
US-20230277508-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR CYP2E1, CYP11B1, CYP27A1 GNAO1 2080/4885KEAP1 179/4885SMN1; SMN2 2156/4885

“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.