SCHEMBL18590502

SCHEMBL18590502

Cc1ccc([C@H]2CC(=O)N[C@@H]2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
LMNA P02545 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
BRD4 O60885 4/20 0.36
CREBBP Q92793 3/20 0.36
EP300 Q09472 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36

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
SCHEMBL18590507 1.00 MAPT (0.42) MAPTATMNPSR1ALDH1A1CYP1A2
SCHEMBL18590503 1.00 MAPT (0.42) MAPTATMNPSR1ALDH1A1CYP1A2
SCHEMBL18590508 1.00 MAPT (0.42) MAPTATMNPSR1ALDH1A1CYP1A2
SCHEMBL6482507 0.84 SLC6A3 (0.45) ALDH1A1LMNA
SCHEMBL6482502 0.84 SLC6A3 (0.45) ALDH1A1LMNA
SCHEMBL6482499 0.84 SLC6A3 (0.45) ALDH1A1LMNA
SCHEMBL12525034 0.83 ALDH1A1 (0.48) MAPTNPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1904591 0.83 ALDH1A1 (0.48) MAPTNPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1901694 0.83 ALDH1A1 (0.48) MAPTNPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL19559429 0.81 KDM1A (0.47) MAPTALDH1A1CYP3A4SMN1; SMN2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029983-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-24 US disclosed
US-20180044290-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN SEIYAKU KK (JP) 2018-02-15 US disclosed
US-9822069-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2017-11-21 US disclosed
US-20170066718-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2017-03-09 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-10029983-B2 Urea derivative or pharmacologically acceptable salt thereof FPR1, FPR2, FPR3 MAPT 3087/4885ATM 4814/4885NPSR1 34/4885
US-20170066718-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, FPR3 MAPT 3087/4885ATM 4814/4885NPSR1 34/4885
US-20180044290-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, FPR3 MAPT 3087/4885ATM 4814/4885NPSR1 34/4885

“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.