SCHEMBL29686604

SCHEMBL29686604

Cc1cc(C#N)cc(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.41
AR P10275 3/20 0.40
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
VCAM1 P19320 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
ACLY P53396 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL3208998 0.84 TTR (0.41) GRM5ARTTRALBALDH1A1
SCHEMBL7929409 0.84 GRM5 (0.46) GRM5ARKCNJ6KCNJ5KCNJ3
SCHEMBL13696502 0.78 AR (0.42) GRM5ARKCNJ6KCNJ5KCNJ3
SCHEMBL9224719 0.78 EGLN2 (0.40) GRM5TTRALBALDH1A1CYP2A6
SCHEMBL8463144 0.78 GRM5 (0.43) GRM5KCNJ6KCNJ5KCNJ3TTR
SCHEMBL29891425 0.78 GRM5 (0.43) GRM5KCNJ6KCNJ5KCNJ3TTR
SCHEMBL16122643 0.77 GRM5 (0.42) GRM5KCNJ6KCNJ5KCNJ3ALDH1A1
SCHEMBL16122304 0.77 TSHR (0.37) GRM5ARTTRALBALDH1A1
SCHEMBL15321757 0.77 TTR (0.45) ARKCNJ6KCNJ5KCNJ3TTR
SCHEMBL15425313 0.75 TTR (0.48) GRM5TTRALBALDH1A1CYP2A6

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-20240043400-A1 Octahydroisoquinolinyl Derivatives UCB Biopharma SRL (BE) 2024-02-08 US disclosed
EP-4267555-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2023-11-01 EP disclosed
CN-116507332-A Octahydroisoquinolinyl derivatives UCB生物制药有限责任公司 2023-07-28 CN disclosed
WO-2022117678-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2022-06-09 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-20240043400-A1 Octahydroisoquinolinyl Derivatives OPRD1, OPRK1, OPRL1 GRM5 313/4885AR 782/4885KCNJ6 233/4885

“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.