SCHEMBL2798417

SCHEMBL2798417

c1ccc(CNC2CCCCC2NCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.58
MAOA P21397 4/20 0.58
GRIN2B Q13224 2/20 0.53
FUCA1 P04066 1/20 0.50
SSTR3 P32745 3/20 0.49
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
MAOB P27338 3/20 0.46
EPHX1 P07099 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL2936924 1.00 KDM1A (0.58) KDM1AMAOAGRIN2BFUCA1SSTR3
SCHEMBL2197651 1.00 KDM1A (0.58) KDM1AMAOAGRIN2BFUCA1SSTR3
SCHEMBL491107 1.00 KDM1A (0.58) KDM1AMAOAGRIN2BFUCA1SSTR3
SCHEMBL2198525 1.00 KDM1A (0.58) KDM1AMAOAGRIN2BFUCA1SSTR3
SCHEMBL2197644 1.00 KDM1A (0.58) KDM1AMAOAGRIN2BFUCA1SSTR3
Bromide SCHEMBL17822680 0.98 KDM1A (0.56) KDM1AMAOAGRIN2BFUCA1SSTR3
Bromide SCHEMBL16799767 0.98 KDM1A (0.56) KDM1AMAOAGRIN2BFUCA1SSTR3
Bromide SCHEMBL18129441 0.98 KDM1A (0.56) KDM1AMAOAGRIN2BFUCA1SSTR3
Ammonia Solution, Strong SCHEMBL2987109 0.98 KDM1A (0.56) KDM1AMAOAGRIN2BFUCA1SSTR3
Bromide SCHEMBL17822672 0.98 KDM1A (0.56) KDM1AMAOAGRIN2BFUCA1SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP claimed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US claimed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP claimed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO claimed
CN-115160370-B Selenium/sulfur compounds based on 1, 2-cyclohexanediol (amine) and synthetic method thereof 泽升科技(广州)有限公司 2022-11-25 CN disclosed
CN-115160370-A Selenium/sulfur compounds based on 1, 2-cyclohexanediol (amine) and synthetic method thereof 泽升科技(广州)有限公司 2022-10-11 CN disclosed
US-9212335-B2 Equilibrated dynamic mixtures to control the release of perfuming aldehydes and ketones FIRMENICH SA (CH) 2015-12-15 US disclosed
EP-2398769-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP disclosed
WO-2010094678-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US disclosed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 US disclosed
US-7473797-B2 Methods of 1,3-enyne preparation using copper (I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 US disclosed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO disclosed
US-4120957-A ANTHELMINTICS ROHM AND HAAS COMPANY (US) 1978-10-17 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 (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-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES PKM, APEH, PLG KDM1A 1808/4885MAOA 18/4885GRIN2B 3888/4885

“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.