SCHEMBL17174249

SCHEMBL17174249

O=C1CCc2ccccc2N1C(C1CC1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.48
OPRK1 P41145 3/20 0.48
OPRL1 P41146 2/20 0.48
POLB P06746 1/20 0.44
NOTUM Q6P988 1/20 0.41
CHRM2 P08172 4/20 0.41
CHRM4 P08173 4/20 0.41
CHRM5 P08912 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
SRD5A1 P18405 1/20 0.38

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
SCHEMBL17174251 0.78 ATAD2 (0.51) OPRM1OPRK1OPRL1
SCHEMBL5956393 0.77 SMN1; SMN2 (0.55) OPRM1OPRK1OPRL1POLBCHRM2
SCHEMBL29896794 0.77 SMN1; SMN2 (0.55) OPRM1OPRK1OPRL1POLBCHRM2
SCHEMBL3633070 0.75 L3MBTL1 (0.47) OPRM1OPRK1OPRL1POLBNOTUM
SCHEMBL14567692 0.72 POLB (0.46) OPRM1OPRK1OPRL1POLBCHRM2
SCHEMBL9280096 0.71 POLB (0.42) OPRM1OPRK1OPRL1POLBCHRM2
SCHEMBL4553814 0.71 L3MBTL1 (0.48) POLBNOTUM
SCHEMBL12043660 0.68 SMN1; SMN2 (0.53) POLBNOTUM
SCHEMBL3389475 0.67 POLB (0.51) OPRM1OPRK1OPRL1POLBNOTUM
SCHEMBL761220 0.67 SRD5A1 (0.54) OPRM1OPRK1POLBCHRM2CHRM4

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
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-02 US disclosed
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-02 US disclosed
WO-2017009321-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-19 WO disclosed
WO-2015155154-A1 USE OF SUBSTITUTED OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AG (DE) 2015-10-15 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-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C OPRM1 3964/4885OPRK1 3751/4885OPRL1 3273/4885
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS TST, GSS, SQOR OPRM1 1815/4885OPRK1 1613/4885OPRL1 1449/4885

“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.