SCHEMBL27002114

SCHEMBL27002114

CCCc1cc(OC)c(/C=C(\CC)[N+](=O)[O-])cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL27187213 1.00 HMGCR (0.42) HMGCRTAAR1ALDH1A1KDM4ETDP1
SCHEMBL27187236 0.92 HMGCR (0.40) HMGCRTAAR1ALDH1A1KDM4ETDP1
SCHEMBL27187233 0.92 HMGCR (0.40) HMGCRTAAR1ALDH1A1KDM4ETDP1
SCHEMBL31455992 0.92 HMGCR (0.40) HMGCRTAAR1ALDH1A1KDM4ETDP1
SCHEMBL26611529 0.91 HTR2A (0.44) TAAR1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL26611525 0.91 HTR2A (0.44) TAAR1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL27187239 0.90 TAAR1 (0.41) TAAR1ALDH1A1KDM4ETDP1MAPT
SCHEMBL27187234 0.90 TAAR1 (0.41) TAAR1ALDH1A1KDM4ETDP1MAPT
SCHEMBL27135892 0.90 HTR2A (0.46) ALDH1A1KDM4ETDP1MAPTCYP3A4
SCHEMBL27002095 0.90 HTR2A (0.46) ALDH1A1KDM4ETDP1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260021061-A1 ARIADNE AND ANALOGS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROMUSCLAR DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2026-01-22 — — US disclosed
US-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2024-05-23 — — US disclosed
US-20240109836-A1 NON-HALLUCINOGENIC ARIADNE ANALOGS FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-04-04 — — US disclosed
WO-2024073601-A2 ARIADNE AND ANALOGS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROMUSCLAR DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-04-04 — — WO disclosed
EP-4305019-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME Gilgamesh Pharmaceuticals, Inc. (US) 2024-01-17 — — EP disclosed
WO-2022192781-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2022-09-15 — — 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 (3 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-20240109836-A1 NON-HALLUCINOGENIC ARIADNE ANALOGS FOR TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS HTR2C, HTR3A, CNR2 HMGCR 2627/4885TAAR1 59/4885ALDH1A1 1723/4885
US-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME PNMT, HTR6, HTR2C HMGCR 1035/4885TAAR1 226/4885ALDH1A1 1077/4885
US-20260021061-A1 ARIADNE AND ANALOGS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROMUSCLAR DISORDERS ATXN2, HCRTR2, CDR2 HMGCR 1019/4885TAAR1 345/4885ALDH1A1 402/4885

“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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