SCHEMBL17404865

SCHEMBL17404865

CC(C)Oc1ccc(N2CCC(C(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACACB O00763 10/20 0.44
MEN1 O00255 2/20 0.42
NPY2R P49146 1/20 0.39
GLA P06280 1/20 0.38
CYP2D6 P10635 1/20 0.38
LRRK2 Q5S007 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL20000542 0.78 MAPT (0.66) KMT2AMAPTALDH1A1USP2ALOX15
SCHEMBL17032189 0.76 ADRB1 (0.50) KMT2AMAPTALDH1A1USP2ALOX15
SCHEMBL24422206 0.75 MEN1 (0.50) KMT2AMAPTALDH1A1USP2KDM4E
SCHEMBL13132202 0.75 HRH3 (0.49) KMT2AMAPTALDH1A1USP2HSD17B10
SCHEMBL11954981 0.74 MBTD1 (0.52) KMT2AMAPTALDH1A1ALOX15HSD17B10
SCHEMBL11504237 0.74 KMT2A (0.49) KMT2AMAPTALDH1A1USP2ALOX15
SCHEMBL4515500 0.73 ADRB1 (0.66) KMT2AMAPTALDH1A1USP2ALOX15
Hydrochloric Acid SCHEMBL15703247 0.72 ADRB1 (0.64) KMT2AMAPTALDH1A1USP2ALOX15
SCHEMBL12014209 0.72 HRH3 (0.45) KMT2AMAPTALDH1A1USP2HSD17B10
SCHEMBL13003064 0.71 CHKA (0.53) KMT2AMAPTMEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573956-B2 Compounds as dual inhibitors of phosphodiesterases and histone deacetylases FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2017-02-21 US disclosed
US-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-01-07 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-20160002246-A1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES PDE1A, HDAC1, HDAC2 KMT2A 98/4885MAPT 880/4885ALDH1A1 316/4885

“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.