SCHEMBL3984108

SCHEMBL3984108

C[C@H](NO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ APAF1 O14727 1/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ CHRM2 P08172 2/20 0.48
▸ ADRA1A P35348 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ SMPD1 P17405 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ TBXA2R P21731 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ DRD3 P35462 1/20 0.48

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
SCHEMBL3984623 1.00 TDP1 (0.48) TDP1HSD17B10APAF1CYP3A4CHRM2
SCHEMBL3044206 1.00 TDP1 (0.48) TDP1HSD17B10APAF1CYP3A4CHRM2
Hydrochloric Acid SCHEMBL8783045 0.97 MEN1 (0.50) TDP1HSD17B10APAF1CYP3A4CHRM2
SCHEMBL9641540 0.81 ALOX5 (0.52) KCNH2ACP3ALDH1A1
SCHEMBL283979 0.78 SIGMAR1 (0.61) HSD17B10APAF1CYP3A4CHRM2ADRA1A
SCHEMBL28869351 0.78 CYP3A4 (0.52) HSD17B10APAF1CYP3A4CHRM2ADRA1A
SCHEMBL30763462 0.78 SIGMAR1 (0.61) HSD17B10APAF1CYP3A4CHRM2ADRA1A
SCHEMBL1200137 0.78 SIGMAR1 (0.61) HSD17B10APAF1CYP3A4CHRM2ADRA1A
SCHEMBL8437895 0.78 SIGMAR1 (0.61) HSD17B10APAF1CYP3A4CHRM2ADRA1A
SCHEMBL2390659 0.78 CYP3A4 (0.52) HSD17B10APAF1CYP3A4CHRM2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084630-B2 Process for the synthesis of ramelteon and its intermediates TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-12-27 — — US claimed
US-20090281176-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-11-12 — — US claimed
EP-2098519-A1 Process for the synthesis of ramelteon and its intermediates Teva Pharmaceutical Industries Ltd. (IL) 2009-09-09 — — EP claimed
EP-2069320-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES Teva Pharmaceutical Industries Ltd. (IL) 2009-06-17 — — EP claimed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 — — US claimed
WO-2008151170-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-11 — — WO claimed
CN-1419536-A Process for the selective N-formylation of n-hydroxylamines ABBOTT LAB (US) 2003-05-21 — — CN claimed
US-6350902-B2 REACTING HYDROXYAMINE WITH A TRIFLUOROFORMATE ESTER ABBOTT LABORATORIES 2002-02-26 — — US claimed
US-20020002307-A1 Process for the selective N-formylation of N-hydroxylamines ABBOTT LABORATORIES 2002-01-03 — — US claimed
US-20010031896-A1 Process for the selective N-formylation of N-hydroxylamines ABBOTT LABORATORIES 2001-10-18 — — US claimed
US-10407439-B2 Stereochemically defined polypropionates and methods for making and using the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-09-10 — — US disclosed
US-20180186810-A1 STEREOCHEMICALLY DEFINED POLYPROPIONATES AND METHODS FOR MAKING AND USING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-05 — — US disclosed
US-8084630-B2 Process for the synthesis of ramelteon and its intermediates TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-12-27 — — US disclosed
US-20090281176-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-11-12 — — US disclosed
EP-2098519-A1 Process for the synthesis of ramelteon and its intermediates Teva Pharmaceutical Industries Ltd. (IL) 2009-09-09 — — EP disclosed
US-4415742-A Tetrahydro-5-(1-hydroxyethyl)-2-hydroxy-N(1-arylhydrocarbyl)furan-4-carbamic acid alkyl esters HOFFMANN-LA ROCHE INC. (US) 1983-11-15 — — US disclosed
US-4414402-A [2S-(2β,2S*, 3β)]-3-Aminotetrahydro-5-methoxy-α-methyl-2-furanmethanol, an intermediate in the chiral synthesis of amino sugars HOFFMANN-LA ROCHE INC. (US) 1983-11-08 — — US disclosed
US-4376207-A Chiral synthesis of amino sugars HOFFMANN-LA ROCHE INC. (US) 1983-03-08 — — US disclosed
US-4324726-A Chiral synthesis of amino sugars HOFFMANN-LA ROCHE INC. (US) 1982-04-13 — — US disclosed
US-4252964-A Furo[3,2-C]isoxazol-5-ones HOFFMANN-LA ROCHE INC. (US) 1981-02-24 — — 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 (6 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-20090281176-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 TDP1 2994/4885HSD17B10 146/4885APAF1 4833/4885
US-10407439-B2 Stereochemically defined polypropionates and methods for making and using the same FDPS, DHPS, ADCYAP1R1 TDP1 2639/4885HSD17B10 236/4885APAF1 2839/4885
US-20180186810-A1 STEREOCHEMICALLY DEFINED POLYPROPIONATES AND METHODS FOR MAKING AND USING THE SAME FDPS, DHPS, ADCYAP1R1 TDP1 2639/4885HSD17B10 236/4885APAF1 2839/4885
US-20010031896-A1 Process for the selective N-formylation of N-hydroxylamines HNMT, INMT, PNMT TDP1 2490/4885HSD17B10 1343/4885APAF1 1276/4885
US-20020002307-A1 Process for the selective N-formylation of N-hydroxylamines HNMT, INMT, PNMT TDP1 2490/4885HSD17B10 1343/4885APAF1 1276/4885
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 TDP1 2771/4885HSD17B10 204/4885APAF1 4852/4885

“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.

Send feedback