SCHEMBL13823637

SCHEMBL13823637

CC1CN(C(C)C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.38
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
GPR3 P46089 1/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL20467040 0.86 NOTUM (0.41) NOTUMSLC6A2SLC6A4ROCK1ALDH1A1
SCHEMBL13180794 0.82 NOTUM (0.45) NOTUMSLC6A2SLC6A4ROCK1ALDH1A1
SCHEMBL5848884 0.82 SLC6A2 (0.45) NOTUMSLC6A2SLC6A4ROCK1ALDH1A1
SCHEMBL24780657 0.79 SLC6A2 (0.46) NOTUMSLC6A2SLC6A4ALDH1A1CYP3A4
SCHEMBL13816287 0.79 SLC6A2 (0.46) NOTUMSLC6A2SLC6A4ALDH1A1CYP3A4
SCHEMBL19364534 0.78 TSHR (0.40) NOTUMSLC6A2SLC6A4ROCK1ALDH1A1
SCHEMBL4718362 0.77 SLC6A2 (0.47) NOTUMSLC6A2SLC6A4ROCK1ALDH1A1
SCHEMBL27018586 0.77 HRH1 (0.33) NOTUMSLC6A2SLC6A4ALOX15
SCHEMBL24781642 0.77 SLC6A2 (0.47) NOTUMSLC6A2SLC6A4DRD4LMNA
SCHEMBL24780625 0.75 CYP3A4 (0.32) ROCK1CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 US disclosed
US-7541383-B2 Asthma and allergic inflammation modulators AMGEN INC. (US) 2009-06-02 US disclosed
US-20080085891-A1 Asthma and allergic inflammation modulators FU ZICE 2008-04-10 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 (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-20080085891-A1 Asthma and allergic inflammation modulators IL5, TSLP, CYSLTR2 NOTUM 956/4885SLC6A2 4845/4885SLC6A4 4786/4885
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 NOTUM 4008/4885SLC6A2 2277/4885SLC6A4 1621/4885

“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.