SCHEMBL16730262

SCHEMBL16730262

O=C1CCCN1c1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 5/20 0.52
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TSHR P16473 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ AKR1C3 P42330 2/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL5444324 0.96 ALDH1A1 (0.48) ALDH1A1HPGDKMT2AKDM4ETSHR
SCHEMBL18028120 0.92 ALDH1A1 (0.42) ALDH1A1HPGDKMT2AKDM4ETSHR
SCHEMBL15628318 0.85 F10 (0.47) —
SCHEMBL16730288 0.85 ALDH1A1 (0.53) ALDH1A1HPGDKMT2AKDM4ETSHR
SCHEMBL16730291 0.85 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AKDM4ETSHR
SCHEMBL20050092 0.85 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4ETSHRL3MBTL1
SCHEMBL15731795 0.83 PIK3R1 (0.39) ALDH1A1KMT2AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL15628298 0.83 ALDH1A1 (0.34) ALDH1A1HPGDKMT2AKDM4ESMN1; SMN2
SCHEMBL23000091 0.83 ALDH1A1 (0.66) ALDH1A1HPGDKMT2AKDM4ETSHR
SCHEMBL17576245 0.82 AKR1C3 (0.44) ALDH1A1HPGDKMT2AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
EP-3072892-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Chengdu Easton Biopharmaceuticals Co., Ltd. (CN) 2016-09-28 — — EP disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
WO-2015070809-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF 成都苑东药业有限公司 2015-05-21 — — 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-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF PEPD, F2, XDH ALDH1A1 905/4885HPGD 42/4885KMT2A 3593/4885

“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.

Send feedback