SCHEMBL13637248

SCHEMBL13637248

CCn1ccc2cc(C(C)(C)C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
CYP19A1 P11511 2/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39

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
SCHEMBL20353866 0.86 HTR7 (0.44) KCNH2MAP3K5HTR2CHTR2AMTNR1A
SCHEMBL18857011 0.86 KRAS (0.44) KCNH2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16473861 0.84 KCNH2 (0.53) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL14093224 0.81 KCNH2 (0.47) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL15627017 0.79 APP (0.50) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13483885 0.79 GLO1 (0.46) KCNH2HTR2CHTR2AMTNR1AMTNR1B
SCHEMBL12277370 0.79 KMT2A (0.55) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL15828656 0.79 HTR2C (0.58) KCNH2HTR2CHTR2AKDM4E
SCHEMBL8932731 0.78 KCNH2 (0.43) KCNH2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL21025538 0.77 GRM2 (0.40) KCNH2RORCKDM4EMEN1MAPT

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-20230357270-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES SANOFI (FR) 2023-11-09 US disclosed
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-09-07 US disclosed
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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 (3 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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 KCNH2 1629/4885TUBB4A 700/4885TUBB 1210/4885
US-20230357270-A1 TETRAHYDROISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF RED BLOOD DISORDERS AND INFLAMMATORY DISEASES NFE2L2, KEAP1, NFE2 KCNH2 4598/4885TUBB4A 1664/4885TUBB 2652/4885
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, ASGR1, FCGR3B KCNH2 4214/4885TUBB4A 4634/4885TUBB 4553/4885

“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.