SCHEMBL6946206

SCHEMBL6946206

O=C1CCN(CCCOc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HRH3 Q9Y5N1 5/20 0.63
HRH1 P35367 2/20 0.62
TMEM97 Q5BJF2 2/20 0.62
SIGMAR1 Q99720 2/20 0.62
HTR1A P08908 1/20 0.62
DRD2 P14416 1/20 0.62
HTR2A P28223 1/20 0.62
DRD3 P35462 1/20 0.62
KCNH2 Q12809 1/20 0.56

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
SCHEMBL3886790 0.95 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2HRH3HRH1
SCHEMBL6945688 0.92 LTA4H (0.61) KDM4EALDH1A1SMN1; SMN2HRH3TMEM97
SCHEMBL8114904 0.92 LTA4H (0.61) KDM4EALDH1A1SMN1; SMN2HRH3TMEM97
SCHEMBL7033807 0.86 HTR1A (0.80) KDM4EALDH1A1SMN1; SMN2HRH3HRH1
SCHEMBL492205 0.82 HRH3 (0.84) KDM4EALDH1A1SMN1; SMN2HRH3HRH1
SCHEMBL5635479 0.82 NPC1 (0.55) TMEM97SIGMAR1HTR1ADRD2KCNH2
Hydrochloric Acid SCHEMBL27860615 0.81 HTR1A (0.73) KDM4EALDH1A1SMN1; SMN2HRH3HRH1
SCHEMBL2823877 0.81 HRH3 (0.87) KDM4EALDH1A1SMN1; SMN2HRH3HRH1
SCHEMBL4084100 0.81 HRH3 (0.87) KDM4EALDH1A1SMN1; SMN2HRH3HRH1
SCHEMBL6655573 0.80 KMT2A (0.60) KDM4EALDH1A1HRH3DRD2DRD3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397616-B1 LSD1 INHIBITORS MIRATI THERAPEUTICS INC (US) 2020-06-10 EP disclosed
EP-3397616-B1 LSD1 INHIBITORS MIRATI THERAPEUTICS INC (US) 2020-06-10 EP disclosed
US-10233152-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2019-03-19 US disclosed
EP-3397616-A1 LSD1 INHIBITORS Mirati Therapeutics, Inc. (US) 2018-11-07 EP disclosed
US-20180127369-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. 2018-05-10 US disclosed
US-9809541-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2017-11-07 US disclosed
US-9809541-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2017-11-07 US disclosed
WO-2017116558-A1 LSD1 INHIBITORS Mirati Therapeutics, Inc. (US) 2017-07-06 WO disclosed
WO-2017116558-A1 LSD1 INHIBITORS Mirati Therapeutics, Inc. (US) 2017-07-06 WO disclosed
US-20170183308-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. (US) 2017-06-29 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
US-5760035-A PIPERIDINE COMPOUNDS SUBSTITUTED WITH AN AMINOALKYL GROUP AND AN ARYLOXYALKYL GROUP, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, IMMUNOSUPPRESSANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
EP-0720602-B1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1997-07-09 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed
EP-0720602-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1996-07-10 EP disclosed
WO-1995008535-A1 4-ALKYLAMINO-1-PHENOXYALKYL PIPERIDINES AS ANTIINFLAMMATORY, ANTIALLERGIC AND IMMUNOMODULATING AGENTS KNOLL AG (DE) 1995-03-30 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 (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-10233152-B2 LSD1 inhibitors KDM1B, KDM1A, KDM3A KDM4E 14/4885ALDH1A1 364/4885SMN1; SMN2 3266/4885
US-20170183308-A1 LSD1 Inhibitors KDM1B, KDM1A, KDM3A KDM4E 14/4885ALDH1A1 364/4885SMN1; SMN2 3266/4885
US-20180127369-A1 LSD1 Inhibitors KDM1B, KDM1A, KDM3A KDM4E 14/4885ALDH1A1 364/4885SMN1; SMN2 3266/4885

“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.