SCHEMBL26027577

SCHEMBL26027577

CC(C)c1ccc(CN(C)C(=O)N2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ DPP7 Q9UHL4 2/20 0.46
▸ HTT P42858 1/20 0.45
▸ FKBP1A P62942 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ TPSAB1 Q15661 1/20 0.42
▸ AGTR2 P50052 1/20 0.42
▸ RORC P51449 1/20 0.41

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
SCHEMBL23972318 0.85 HRH3 (0.52) HRH3ALDH1A1MAPTHPGDKMT2A
SCHEMBL26027797 0.85 KMT2A (0.54) HRH3MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL13838899 0.82 HPGD (0.59) HRH3ALDH1A1MAPTHPGDKMT2A
SCHEMBL3132249 0.82 SMN1; SMN2 (0.54) HRH3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL26713940 0.81 HRH3 (0.49) HRH3ALDH1A1MAPTHPGDKMT2A
SCHEMBL23124749 0.78 BCL9 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL23124751 0.78 BCL9 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL29191706 0.77 MEN1 (0.59) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL29322550 0.77 SMN1; SMN2 (0.64) HRH3ALDH1A1MAPTHPGDKMT2A
SCHEMBL13838900 0.76 HPGD (0.61) HRH3ALDH1A1MAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 — — US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 — — US disclosed
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES RAQUALIA PHARMA INC. (JP) 2023-08-17 — — 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 (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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 HRH3 554/4885ALDH1A1 1663/4885MAPT 2065/4885
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES TRPV4, TRPV5, TRPV2 HRH3 635/4885ALDH1A1 1666/4885MAPT 2159/4885

“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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