SCHEMBL1830698

SCHEMBL1830698

NNC(=O)C1CC1c1ccc(C2CCCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
HPGD P15428 1/20 0.50
SIGMAR1 Q99720 3/20 0.47
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HAO1 Q9UJM8 1/20 0.43
DEGS1 O15121 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL7317851 0.80 HDAC8 (0.46) HPGDSIGMAR1HDAC8HDAC6HDAC1
SCHEMBL7314337 0.80 FFAR1 (0.54) HPGDSIGMAR1HDAC8HDAC6HDAC1
Hydrochloric Acid SCHEMBL7317863 0.79 FFAR1 (0.53) HPGDSIGMAR1HDAC8HDAC6HDAC1
SCHEMBL3977676 0.79 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1224015 0.78 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1224012 0.78 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1831403 0.78 SLC6A2 (0.56) HPGDHDAC8HDAC6HDAC1HAO1
SCHEMBL1829983 0.75 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7332673 0.73 HDAC8 (0.69) ALDH1A1CYP3A4HDAC8HDAC6HDAC1
SCHEMBL15281965 0.72 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317025-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS INC (US) 2013-11-28 US disclosed
US-8481532-B2 PDE-10 inhibitors ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8481532-B2 PDE-10 inhibitors ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8481532-B2 PDE-10 inhibitors ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20110178083-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-20110178083-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-20110178083-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. 2011-07-21 US disclosed
EP-2318410-A2 NEW SMALL-MOLECULE PDE-10 INHIBITORS Envivo Pharmaceuticals, Inc. (US) 2011-05-11 EP disclosed
WO-2010006130-A2 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. (US) 2010-01-14 WO disclosed
WO-2010006130-A2 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. (US) 2010-01-14 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 (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-20130317025-A1 PDE-10 INHIBITORS PDE12, PDE10A, PDE2A ALDH1A1 954/4885CYP1A2 327/4885CYP3A4 659/4885
US-20110178083-A1 PDE-10 INHIBITORS PDE12, PDE10A, PDE2A ALDH1A1 954/4885CYP1A2 327/4885CYP3A4 659/4885

“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.