SCHEMBL16293099

SCHEMBL16293099

CCOc1ccccc1CN1CCC(NC(=O)CNCc2cc(CNC3CC3)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALPL P05186 1/20 0.46
▸ ALPI P09923 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CCR8 P51685 1/20 0.42

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
SCHEMBL16006929 0.92 SIGMAR1 (0.57) SIGMAR1MEN1KMT2APOLBCCR8
SCHEMBL15994202 0.84 SIGMAR1 (0.59) SIGMAR1MEN1KMT2APOLBCCR8
SCHEMBL16293808 0.83 SIGMAR1 (0.58) SIGMAR1MEN1KMT2APOLBCCR8
SCHEMBL15635975 0.80 SIGMAR1 (0.58) SIGMAR1MEN1KMT2APOLBCCR8
SCHEMBL17984984 0.78 SIGMAR1 (0.42) SIGMAR1MEN1KMT2APOLBCCR8
SCHEMBL15994153 0.76 SIGMAR1 (0.49) SIGMAR1ALPLALPIALPGMEN1
SCHEMBL28168925 0.76 SIGMAR1 (0.51) SIGMAR1MEN1KMT2APOLBCCR8
SCHEMBL19574680 0.72 TSHR (0.43) SIGMAR1SMN1; SMN2POLBCYP2D6CYP2C19
SCHEMBL28168475 0.68 SIGMAR1 (0.57) SIGMAR1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL16305485 0.67 DRD2 (0.55) SIGMAR1POLB

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
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US disclosed
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A SIGMAR1 2943/4885MAPT 3435/4885ALPL 4081/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A SIGMAR1 2943/4885MAPT 3435/4885ALPL 4081/4885

“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.

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