SCHEMBL13677550

SCHEMBL13677550

Cc1ccc2cc(C(C)C)n(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CYP2A6 P11509 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ KMO O15229 1/20 0.36
▸ TRPA1 O75762 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ NR1I2 O75469 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL26745662 0.85 RXFP1 (0.50) MAPTRXFP1CYP2A6CYP1A2HTR2A
SCHEMBL13677503 0.81 HTR7 (0.38) TRPA1LMNAKMT2A
SCHEMBL19531651 0.79 PSMB8 (0.42) MAPTCYP2A6HTR2AHTR2CTDP1
SCHEMBL24943301 0.77 KCNH2 (0.39) MAPTTDP1MEN1KMT2ACCR9
SCHEMBL9887744 0.76 KMT2A (0.55) MAPTMEN1KMT2A
SCHEMBL5986735 0.75 MAPT (0.52) MAPTRXFP1CYP2A6CYP1A2HTR2A
SCHEMBL10022420 0.75 CDC7 (0.40) CCR9
SCHEMBL23809378 0.75 KDM4E (0.44) —
Ammonia Solution, Strong SCHEMBL28878686 0.75 MAPT (0.38) MAPTRXFP1CYP2A6CYP1A2HTR2A
SCHEMBL24943871 0.74 ALDH1A1 (0.41) MAPTRXFP1CYP2A6CYP1A2HTR2A

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
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
WO-2023114428-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2023-06-22 — — WO disclosed
EP-3992183-A1 METHOD FOR TREATING IDIOPATHIC PULMONARY FIBROSIS Beijing Tide Pharmaceutical Co., Ltd. (CN) 2022-05-04 — — EP disclosed
EP-2648517-B1 TRICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME (US) 2015-08-05 — — EP disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 — — 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR MAPT 4595/4885RXFP1 18/4885CYP2A6 442/4885

“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.

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