SCHEMBL4055725

SCHEMBL4055725

CCCCc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
CALM1 P0DP23 2/20 0.59
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
SLC6A4 P31645 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL29604675 1.00 TAAR1 (0.62) TAAR1CALM1HDAC1HDAC3HDAC2
SCHEMBL15178307 0.95 TAAR1 (0.61) TAAR1CALM1HDAC1HDAC3HDAC2
SCHEMBL11862122 0.93 TAAR1 (0.59) TAAR1CALM1HDAC1HDAC3HDAC2
SCHEMBL28945271 0.93 TAAR1 (0.59) TAAR1CALM1HDAC1HDAC3HDAC2
SCHEMBL30712274 0.93 TAAR1 (0.59) TAAR1CALM1HDAC1HDAC3HDAC2
SCHEMBL11696002 0.93 TAAR1 (0.59) TAAR1CALM1HDAC1HDAC3HDAC2
SCHEMBL15272035 0.93 TAAR1 (0.59) TAAR1CALM1HDAC1HDAC3HDAC2
SCHEMBL18414428 0.89 TRPV1 (0.52) TAAR1CALM1TRPV1MAPT
SCHEMBL429483 0.89 TAAR1 (0.67) TAAR1CALM1SLC6A4SLC6A2SLC6A3
SCHEMBL108050 0.88 CALM1 (0.72) TAAR1CALM1HDAC1HDAC3HDAC2

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3697752-A1 THERMOLABILE FRAGRANCE STORAGE SUBSTANCES OF FRAGRANT KETONES Henkel AG & Co. KGaA (DE) 2020-08-26 EP claimed
WO-2019076588-A1 THERMOLABILE FRAGRANCE STORAGE SUBSTANCES OF FRAGRANT KETONES HENKEL AG & CO. KGAA (DE) 2019-04-25 WO claimed
WO-2024234014-A1 SUBLINGUAL SPRAY FORMULATIONS OF PSYCHEDELICS SPIRITUS BIOSCIENCE, INC. (US) 2024-11-14 WO disclosed
US-20230355583-A1 METHODS FOR DELIVERY OF PSYCHEDELIC MEDICATIONS BY INHALATION AND SYSTEMS FOR PERFORMING THE METHODS CYBIN IRL LIMITED (IE) 2023-11-09 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 US disclosed
WO-2023019369-A1 COMPOSITIONS COMPRISING NON-RACEMIC MIXTURES OF (R)- AND (S)-3,4-METHYLENEDIOXYMETHAMPHETAMINE OR (R) AND (S) N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE AND USES THEREOF PHARMALA BIOTECH INC. (CA) 2023-02-23 WO disclosed
EP-4106822-A1 BAD-ODOR CONTROL USING ENCAPSULATION TECHNOLOGIES CONTAINING NEUTRALIZING AGENT Henkel AG & Co. KGaA (DE) 2022-12-28 EP disclosed
US-20220071933-A1 COMBINATION REMEDY SYMRISE AG (DE) 2022-03-10 US disclosed
WO-2021161083-A1 AN EFFICIENT PROCESS FOR PREPARATION OF ACYL DERIVATIVES OF ALKYLENEDIOXYBENZENES ANTHEA AROMATICS PRIVATE LIMITED (IN) 2021-08-19 WO disclosed
EP-3346834-B1 SUBSTITUTED METHYLENEDIOXYBENZYL COMPOUNDS AND THEIR USE AS SYNERGISTS ENDURA SPA (IT) 2020-10-21 EP disclosed
EP-3713921-A1 HYDROLYTICALLY LABILE HETEROCYCLES OF ODORIFEROUS KETONES OR ODORIFEROUS ALDEHYDES Henkel AG & Co. KGaA (DE) 2020-09-30 EP disclosed
US-20040161404-A1 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-19 US disclosed
EP-1439157-A2 Method for producing Suzuki coupling compound catalysed by a nickel compound Sumitomo Chemical Co.,Ltd. (JP) 2004-07-21 EP disclosed
US-5932749-A Asymmetric synthesis of R-α-propyl-piperonyl amine and its analogs DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-03 US disclosed
EP-0888329-A1 NOVEL ASYMMETRIC SYNTHESIS OF R-$g(a)-PROPYL-PIPERONYL AMINE AND ITS ANALOGS Du Pont Pharmaceuticals Company (US) 1999-01-07 EP disclosed
WO-1997034887-A1 NOVEL ASYMMETRIC SYNTHESIS OF R-α-PROPYL-PIPERONYL AMINE AND ITS ANALOGS DU PONT PHARMACEUTICALS COMPANY (US) 1997-09-25 WO disclosed
EP-0408585-A4 IMMOBILIZED ARTIFICIAL MEMBRANES 1991-01-30 EP disclosed
EP-0408585-A1 IMMOBILIZED ARTIFICIAL MEMBRANES Purdue Research Foundation (US) 1991-01-23 EP disclosed
US-4927879-A CHROMATOGRAPHY SUPPORTS PURDUE RESEARCH FOUNDATION (US) 1990-05-22 US disclosed
WO-1989008130-A1 IMMOBILIZED ARTIFICIAL MEMBRANES PURDUE RESEARCH FOUNDATION (US) 1989-09-08 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 (4 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-20220071933-A1 COMBINATION REMEDY GPR119, GLP1R, GIPR TAAR1 457/4885CALM1 2249/4885HDAC1 3229/4885
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 TAAR1 2757/4885CALM1 3384/4885HDAC1 862/4885
US-20230355583-A1 METHODS FOR DELIVERY OF PSYCHEDELIC MEDICATIONS BY INHALATION AND SYSTEMS FOR PERFORMING THE METHODS PNMT, CNR2, CNR1 TAAR1 17/4885CALM1 37/4885HDAC1 4297/4885
US-20040161404-A1 Method for producing coupling compound PYM1, MALT1, BET1 TAAR1 532/4885CALM1 2997/4885HDAC1 801/4885

“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.