SCHEMBL16212014

SCHEMBL16212014

O=C(NC1CCC1c1c(F)cccc1F)c1cccnc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 15/20 0.46
▸ ACKR3 P25106 3/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ HCRTR2 O43614 4/20 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
SCHEMBL16212016 1.00 HCRTR1 (0.46) HCRTR1ACKR3HDAC6TAS1R3TAS1R1
SCHEMBL16220919 1.00 HCRTR1 (0.46) HCRTR1ACKR3HDAC6TAS1R3TAS1R1
SCHEMBL16371864 0.84 HCRTR1 (0.46) HCRTR1ACKR3HDAC6
SCHEMBL19775167 0.84 HCRTR1 (0.46) HCRTR1ACKR3HDAC6
SCHEMBL17598751 0.82 HCRTR1 (0.52) HCRTR1TAS1R3TAS1R1TAS1R2
SCHEMBL24543387 0.79 ACKR3 (0.42) HCRTR1ACKR3HDAC6
SCHEMBL30704818 0.79 ACKR3 (0.42) HCRTR1ACKR3HDAC6
SCHEMBL21273819 0.79 ACKR3 (0.42) HCRTR1ACKR3HDAC6
SCHEMBL21273811 0.79 ACKR3 (0.42) HCRTR1ACKR3HDAC6
SCHEMBL29687045 0.79 ACKR3 (0.42) HCRTR1ACKR3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 — — US disclosed
EP-2991487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-03-09 — — EP disclosed
WO-2014177487-A9 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-23 — — WO disclosed
WO-2014177487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-11-06 — — 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 (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-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES DNPH1, AADAC, NAAA HCRTR1 1170/4885ACKR3 4363/4885HDAC6 297/4885

“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.

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