SCHEMBL23717412

SCHEMBL23717412

CCCC(CCC)c1cccc(C(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.50
IDH1 O75874 12/20 0.41
P2RX7 Q99572 1/20 0.38
IDH2 P48735 3/20 0.36
GRM5 P41594 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL22795799 0.93 ADRB1 (0.48) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL18763962 0.86 ADRB1 (0.45) ADRB1IDH1P2RX7GRM5
SCHEMBL20738182 0.85 ADRB1 (0.49) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL12264474 0.83 ADRB1 (0.48) ADRB1IDH1P2RX7IDH2GRM5
Hydrochloric Acid SCHEMBL2401971 0.82 IRAK4 (0.47) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL24302842 0.79 ADRB1 (0.47) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL15354799 0.77 ADRB1 (0.51) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL26304397 0.77 HRH1 (0.35)
SCHEMBL9991096 0.76 ADRB1 (0.50) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL9991717 0.76 ADRB1 (0.66) ADRB1IDH1P2RX7IDH2GRM5

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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 ADRB1 1733/4885IDH1 4673/4885P2RX7 2506/4885

“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.