SCHEMBL23887664

SCHEMBL23887664

Nc1ccc(N2CCN(C(=O)O)[C@@H](CO)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 5/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ TRPC6 Q9Y210 5/20 0.42
▸ MAPT P10636 8/20 0.40
▸ GAA P10253 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ LMNA P02545 5/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ ALOX12 P18054 4/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL23887667 1.00 GFER (0.44) GFERCASP6TRPC6MAPTGAA
SCHEMBL16570434 0.87 GFER (0.47) GFERCASP6TRPC6MAPTGAA
SCHEMBL21877157 0.86 AKR1C3 (0.41) TRPC6OPRK1AGTR2NOTUMSLC6A7
SCHEMBL21877154 0.86 AKR1C3 (0.41) TRPC6OPRK1AGTR2NOTUMSLC6A7
SCHEMBL29104082 0.86 AKR1C3 (0.41) TRPC6MAPTGAAALDH1A1KMT2A
SCHEMBL28094398 0.84 TRPC6 (0.38) GFERCASP6TRPC6
SCHEMBL28094767 0.84 TRPC6 (0.38) GFERCASP6TRPC6
SCHEMBL20591938 0.81 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL23887658 0.81 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL18186418 0.81 NR1H2 (0.48) TRPC6MAPTALDH1A1LMNA

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-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — US disclosed
EP-4126824-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE Theravance Biopharma R&D IP, LLC (US) 2023-02-08 — — EP disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 — — 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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 GFER 4197/4885CASP6 2105/4885TRPC6 2493/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 GFER 4197/4885CASP6 2105/4885TRPC6 2493/4885

“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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