SCHEMBL300990

SCHEMBL300990

CCC(C)c1cccc(C(C)C)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
GABRA1 P14867 3/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRB2 P47870 2/20 0.41
HPGD P15428 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL9683779 0.94 TSHR (0.56) TSHRGABRA1GABRG2GABRB3GABRB2
Propane SCHEMBL27557470 0.87 GABRA1 (0.48) TSHRGABRA1GABRG2GABRB3GABRB2
SCHEMBL104314 0.84 GABRA1 (0.55) TSHRGABRA1GABRG2GABRB3GABRB2
Lithium SCHEMBL30421854 0.82 GABRA1 (0.52) TSHRGABRA1GABRG2GABRB3GABRB2
SCHEMBL30791052 0.82 GABRA1 (0.52) TSHRGABRA1GABRG2GABRB3GABRB2
SCHEMBL6692957 0.82 GABRA1 (0.52) TSHRGABRA1GABRG2GABRB3GABRB2
Hydrochloric Acid SCHEMBL8615487 0.82 GABRA1 (0.52) TSHRGABRA1GABRG2GABRB3GABRB2
Lithium Ion SCHEMBL29536467 0.82 GABRA1 (0.52) TSHRGABRA1GABRG2GABRB3GABRB2
Methane SCHEMBL27577653 0.82 GABRA1 (0.52) TSHRGABRA1GABRG2GABRB3GABRB2
SCHEMBL10798080 0.82 TSHR (0.48) TSHRHPGDLMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152651-B1 THERAPEUTIC COMPOUNDS PHARMACOFORE INC (US) 2012-01-04 EP claimed
WO-2023122078-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-06-29 WO disclosed
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US disclosed
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US disclosed
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US disclosed
US-20120196939-A1 Therapeutic Compounds SOWOOD HEALTHCARE LLC 2012-08-02 US disclosed
US-20120196939-A1 Therapeutic Compounds SOWOOD HEALTHCARE LLC 2012-08-02 US disclosed
EP-2152651-B1 THERAPEUTIC COMPOUNDS PHARMACOFORE INC (US) 2012-01-04 EP disclosed
EP-2392559-A1 Therapeutic compounds Pharmacofore, Inc. (US) 2011-12-07 EP disclosed
EP-2392559-A1 Therapeutic compounds Pharmacofore, Inc. (US) 2011-12-07 EP disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
EP-2152651-A1 THERAPEUTIC COMPOUNDS Pharmacofore, Inc. (US) 2010-02-17 EP disclosed
WO-2008141099-A1 THERAPEUTIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-11-20 WO disclosed
US-4194008-A INSECTICIDE, FUNGICIDE, MITICIDE, PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-03-18 US disclosed
EP-0000365-A1 N-aryl-N'-alcoyl-S-alcoyl isothioureas, process for their preparation and their use against animal and vegetal pests BAYER AG (DE) 1979-01-24 EP 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-20130217783-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 TSHR 1530/4885GABRA1 202/4885GABRG2 593/4885
US-20100249246-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 TSHR 1530/4885GABRA1 202/4885GABRG2 593/4885
US-20120196939-A1 Therapeutic Compounds OPRM1, OPRD1, SCN1B TSHR 1877/4885GABRA1 84/4885GABRG2 391/4885

“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.