SCHEMBL10078850

SCHEMBL10078850

CN1CCC(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.50
TNKS O95271 2/20 0.43
PARP1 P09874 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
PLG P00747 1/20 0.40
LSS P48449 1/20 0.39
NPY5R Q15761 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL24123996 0.89 QDPR (0.45) QDPRTNKSPARP1TNKS2SLC6A2
SCHEMBL1823938 0.88 SLC6A2 (0.41) QDPRSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL13242901 0.87 QDPR (0.44) QDPRTNKSPARP1TNKS2ESR1
SCHEMBL24309521 0.87 QDPR (0.51) QDPRTNKSPARP1TNKS2ESR1
SCHEMBL24123862 0.84 QDPR (0.41) QDPRTNKSPARP1TNKS2ESR1
SCHEMBL22063677 0.84 QDPR (0.47) QDPRTNKSPARP1TNKS2HTR2C
SCHEMBL10078397 0.81 QDPR (0.53) QDPRSLC6A2SLC6A4SLC6A3ESR1
SCHEMBL28296842 0.81 NPC1 (0.37) QDPRSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL3157843 0.79 NPY5R (0.39) NPY5R
SCHEMBL2606127 0.79 QDPR (0.55) QDPRTNKSPARP1TNKS2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-05-30 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
WO-2017097927-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-06-15 WO disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-8148404-B2 Modulators of CB1 receptors 7TM PHARMA A/S (DK) 2012-04-03 US disclosed
US-20100144701-A1 Modulators of CB1 Receptors 7TM PHARMA A/S (DK) 2010-06-10 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 (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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES ACHE, AADAC, ATL3 QDPR 1656/4885TNKS 447/4885PARP1 1739/4885
US-20100144701-A1 Modulators of CB1 Receptors CNR1, CNR2, GPR6 QDPR 2143/4885TNKS 4601/4885PARP1 4043/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A QDPR 677/4885TNKS 2707/4885PARP1 1530/4885

“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.