SCHEMBL6769005

SCHEMBL6769005

FC(F)(F)c1ccccc1CN1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.72
KDM4E B2RXH2 11/20 0.72
POLB P06746 1/20 0.72
ATM Q13315 3/20 0.71
KMT2A Q03164 4/20 0.67
NPSR1 Q6W5P4 3/20 0.61
TDP1 Q9NUW8 4/20 0.58
GAA P10253 2/20 0.58
RECQL P46063 1/20 0.58
MEN1 O00255 3/20 0.56
HPGD P15428 1/20 0.55
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.52
MAPT P10636 1/20 0.51

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
Hydrochloric Acid SCHEMBL7405455 0.98 ALDH1A1 (0.70) ALDH1A1KDM4EPOLBATMKMT2A
SCHEMBL31669175 0.98 ALDH1A1 (0.74) ALDH1A1KDM4EPOLBATMKMT2A
Cyclopentanamine SCHEMBL5925376 0.88 KDM4E (0.59) ALDH1A1KDM4EPOLBATMKMT2A
SCHEMBL2090077 0.84 KDM4E (0.62) ALDH1A1KDM4EPOLBATMKMT2A
SCHEMBL19288785 0.84 KDM4E (1.00) ALDH1A1KDM4EPOLBATMKMT2A
SCHEMBL10129617 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBATMKMT2A
SCHEMBL11619127 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBATMKMT2A
SCHEMBL15859936 0.83 KDM4E (0.67) ALDH1A1KDM4EPOLBATMKMT2A
SCHEMBL1779555 0.83 KDM4E (0.67) ALDH1A1KDM4EPOLBATMKMT2A
SCHEMBL14318329 0.83 ALDH1A1 (0.88) ALDH1A1KDM4EPOLBATMKMT2A

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-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS AG (CH) 2024-07-25 US disclosed
CN-106470990-A pyridazine compounds 武田药品工业株式会社 2017-03-01 CN disclosed
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP disclosed
US-6723724-B2 PSYCHOLOGICAL DISORDERS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-20 US disclosed
US-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-08-29 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 (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-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof DRD4, DRD3, DRD2 ALDH1A1 429/4885KDM4E 1677/4885POLB 3948/4885
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 ALDH1A1 2942/4885KDM4E 345/4885POLB 1858/4885

“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.