SCHEMBL10841248

SCHEMBL10841248

COc1cccc2c1NC(C)(C)C=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR5A P47898 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA7 P43166 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CA4 P22748 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL29789738 1.00 HTR5A (0.36) HTR5AHTR1AHTR1DHTR2CHTR7
SCHEMBL10840563 0.82 ALDH1A1 (0.36) ALDH1A1TP53KDM4ELMNAMAPT
SCHEMBL7216738 0.80 CA12 (0.34) HTR5AHTR1AHTR1DHTR2CHTR7
SCHEMBL10841507 0.77 HTR2C (0.37) HTR5AHTR2CCA1CA2CA7
SCHEMBL29789696 0.75 HTR2C (0.36) HTR5AHTR2CCA1CA2CA7
SCHEMBL10840825 0.75 HTR2C (0.36) HTR5AHTR2CCA1CA2CA7
SCHEMBL10839816 0.75 HTR2C (0.36) HTR5AHTR2CCA1CA2CA7
SCHEMBL4456748 0.75 ADAMTS4 (0.30) CA1CA2ALDH1A1LMNAHPGD
SCHEMBL10838754 0.71 AR (0.41) SMN1; SMN2ALDH1A1KDM4ELMNAHPGD
SCHEMBL2719064 0.69 ALDH1A1 (0.51) ALDH1A1KDM4ECYP3A4MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 — — CN disclosed
EP-4031540-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 — — WO disclosed
EP-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 — — EP 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 HTR5A 1176/4885HTR1A 1445/4885HTR1D 1681/4885

“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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