SCHEMBL16248015

SCHEMBL16248015

O=C(Nc1ccc2nccc(Cl)c2c1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
TYK2 P29597 12/20 0.52
JAK2 O60674 3/20 0.52
JAK1 P23458 2/20 0.52
CDK9 P50750 1/20 0.52
JAK3 P52333 1/20 0.52
EGFR P00533 2/20 0.50
ACVRL1 P37023 1/20 0.50
MALT1 Q9UDY8 2/20 0.47

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
SCHEMBL6468321 0.80 EGFR (0.54) MEN1KMT2ATYK2JAK2JAK1
SCHEMBL23758885 0.78 EGFR (0.53) MEN1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL17796425 0.77 TYK2 (0.59) MEN1LMNAHPGDALOX15ALOX12
SCHEMBL29462402 0.75 KMT2A (0.73) MEN1LMNAHPGDALOX15ALOX12
SCHEMBL9706943 0.75 KMT2A (0.73) MEN1LMNAHPGDALOX15ALOX12
SCHEMBL134242 0.75 KMT2A (0.73) MEN1LMNAHPGDALOX15ALOX12
SCHEMBL16247965 0.74 SLC22A12 (0.67)
SCHEMBL23999925 0.74 MAP4K4 (0.52) HPGDSMN1; SMN2EGFR
SCHEMBL17730045 0.74 IDO1 (0.71)
SCHEMBL23130441 0.74 IDO1 (0.71)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2998296-B1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2018-03-14 EP disclosed
EP-2998296-B1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2018-03-14 EP disclosed
US-9637484-B2 Cycloalkyl acid derivative, preparation method thereof, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-05-02 US disclosed
US-9637484-B2 Cycloalkyl acid derivative, preparation method thereof, and pharmaceutical application thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-05-02 US disclosed
US-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co., Lt.d (CN) 2016-04-21 US disclosed
US-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co., Lt.d (CN) 2016-04-21 US disclosed
EP-2998296-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2016-03-23 EP disclosed
EP-2998296-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2016-03-23 EP disclosed
WO-2014183555-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF 上海恒瑞医药有限公司 (CN) 2014-11-20 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 (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-20160108035-A1 CYCLOALKYL ACID DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION THEREOF UGP2, MPST, KYAT1 MEN1 4145/4885LMNA 3806/4885HPGD 3285/4885

“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.