SCHEMBL59943

SCHEMBL59943

CCCCCN(C=O)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 3/20 0.45
ADH1A P07327 3/20 0.45
ADH4 P08319 2/20 0.45
DNM1 Q05193 3/20 0.40
TSHR P16473 4/20 0.39
ADH1B P00325 2/20 0.36
ADH7 P40394 2/20 0.36
EPHX1 P07099 1/20 0.36
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
MGLL Q99685 1/20 0.33
THRB P10828 1/20 0.33
EPHX2 P34913 2/20 0.33
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL9661652 0.98 ADH1C (0.48) ADH1CADH1AADH4DNM1TSHR
SCHEMBL9660235 0.98 ADH1C (0.48) ADH1CADH1AADH4DNM1TSHR
SCHEMBL302861 0.98 ADH1C (0.48) ADH1CADH1AADH4DNM1TSHR
SCHEMBL303029 0.98 ADH1C (0.48) ADH1CADH1AADH4DNM1TSHR
SCHEMBL9660996 0.98 ADH1C (0.48) ADH1CADH1AADH4DNM1TSHR
SCHEMBL270646 0.98 ADH1C (0.48) ADH1CADH1AADH4DNM1TSHR
SCHEMBL9661097 0.98 ADH1C (0.48) ADH1CADH1AADH4DNM1TSHR
SCHEMBL388595 0.98 ADH1C (0.48) ADH1CADH1AADH4DNM1TSHR
SCHEMBL11337999 0.98 ADH1C (0.48) ADH1CADH1AADH4DNM1TSHR
SCHEMBL272223 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027351-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 2000-08-16 EP claimed
WO-1999021860-B1 PHENANTHROLINE DERIVATIVES FIBROGEN INC (US) 1999-08-05 WO claimed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 US claimed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 WO claimed
US-4844717-A KETONE AND AMIDE UNION OIL COMPANY OF CALIFORNIA (US) 1989-07-04 US claimed
US-4743273-A AMIDE AND KETONE, ANTIDEPOSIT AGENTS UNION OIL COMPANY OF CALIFORNIA (US) 1988-05-10 US claimed
EP-3512849-B1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDIN-3-CARBOXAMIDES AND THEIR USE BAYER AG (DE) 2021-06-23 EP disclosed
US-10927109-B2 7-substituted 1-aryl-naphthyridine-3-carboxylic acid amides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-02-23 US disclosed
EP-3307741-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARIC M2 RECEPTOR Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3481823-B1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3692991-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2020-08-12 EP disclosed
EP-2955181-B1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL CORP (JP) 2019-10-30 EP disclosed
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-08 US disclosed
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0517262-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-09 EP disclosed
US-4844717-A KETONE AND AMIDE UNION OIL COMPANY OF CALIFORNIA (US) 1989-07-04 US disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed
US-4743273-A AMIDE AND KETONE, ANTIDEPOSIT AGENTS UNION OIL COMPANY OF CALIFORNIA (US) 1988-05-10 US disclosed
US-4217111-A REDUCING OCTANE REQUIREMENT CHEVRON RESEARCH COMPANY (US) 1980-08-12 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-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor CHRM2, CHRM1, CHRM3 ADH1C 2210/4885ADH1A 2432/4885ADH4 2447/4885
US-10927109-B2 7-substituted 1-aryl-naphthyridine-3-carboxylic acid amides and use thereof AADAC, GLS, NAT1 ADH1C 203/4885ADH1A 265/4885ADH4 343/4885

“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.