SCHEMBL24937808

SCHEMBL24937808

O=C(N1CCN(c2ccc(Cl)cc2Cl)CC1)n1nccn1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.64
GRM5 P41594 13/20 0.53
AVPR1A P37288 2/20 0.46
PHGDH O43175 1/20 0.46
CLK1 P49759 1/20 0.45

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
SCHEMBL24937790 0.82 AKR1C3 (0.62) AKR1C3GRM5
SCHEMBL24937183 0.81 AKR1C3 (0.65) AKR1C3GRM5
SCHEMBL24937187 0.80 AKR1C3 (0.60) AKR1C3GRM5AVPR1APHGDHCLK1
SCHEMBL23777678 0.79 AKR1C3 (0.66) AKR1C3GRM5
SCHEMBL21432539 0.78 AKR1C3 (1.00) AKR1C3
SCHEMBL24937195 0.75 NPC1 (0.67)
SCHEMBL1904905 0.75 AKR1C3 (0.61) AKR1C3GRM5
SCHEMBL1903214 0.75 GRM5 (0.64) AKR1C3GRM5
SCHEMBL12781995 0.74 TSHR (0.70) AKR1C3GRM5
SCHEMBL24937791 0.72 AKR1C3 (0.46) AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024778-A1 STRIGOLACTONE RECEPTOR INHIBITOR, AGRICULTURAL COMPOSITION AND USE THEREOF, STRIGA SEED GERMINATION INHIBITOR, AND TRIAZOLE UREA COMPOUND THE UNIVERSITY OF TOKYO (JP) 2023-01-26 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 (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-20230024778-A1 STRIGOLACTONE RECEPTOR INHIBITOR, AGRICULTURAL COMPOSITION AND USE THEREOF, STRIGA SEED GERMINATION INHIBITOR, AND TRIAZOLE UREA COMPOUND UTS2R, TAS1R1, ULK3 AKR1C3 689/4885GRM5 511/4885AVPR1A 623/4885

“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.