SCHEMBL84788

SCHEMBL84788

NCC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
HRH1 P35367 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR2A P28223 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD1 P21728 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
Hydrochloric Acid SCHEMBL4159913 0.98 OPRM1 (0.43) OPRM1HRH1MEN1KMT2AHTR2A
SCHEMBL5633486 0.86 DPP4 (0.51) OPRM1HRH1MEN1KMT2AHTR2A
SCHEMBL5969007 0.85 HRH1 (0.44) OPRM1HRH1MEN1KMT2AHTR2A
SCHEMBL8477448 0.83 L3MBTL3 (0.46) OPRM1HRH1MEN1KMT2AHTR2A
SCHEMBL16759363 0.82 SLC6A9 (0.46) OPRM1HRH1MEN1KMT2AHTR2A
SCHEMBL8473371 0.81 L3MBTL3 (0.56) OPRM1HRH1MEN1KMT2AHTR2A
SCHEMBL72670 0.81 MEN1 (0.48) OPRM1HRH1MEN1KMT2AHTR2A
SCHEMBL14141067 0.81 OPRM1 (0.44) OPRM1HRH1MEN1KMT2AHTR2A
SCHEMBL85392 0.81 OPRM1 (0.48) OPRM1HRH1MEN1KMT2AHTR2A
Hydrochloric Acid SCHEMBL3552812 0.79 MEN1 (0.47) OPRM1HRH1MEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240051985-A1 METTL3 MODULATORS ACCENT THERAPEUTICS INC (US) 2024-02-15 US disclosed
CN-117098767-A METTL3 modulators 埃克森特治疗公司 2023-11-21 CN disclosed
CN-110520422-A Novel pyridone carboxylic acid derivatives or its salt WAKUNAGA PHARMA CO LTD 2019-11-29 CN disclosed
CN-104918615-B The method for treating hepatopathy 扎夫根股份有限公司 2018-10-12 CN disclosed
US-10064839-B2 Methods of treating liver diseases ZAFGEN, INC. (US) 2018-09-04 US disclosed
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-01-04 US disclosed
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. 2017-11-16 US disclosed
CN-107108625-A Spirocyclic derivatives 克罗诺斯治疗有限公司 2017-08-29 CN disclosed
US-9617237-B2 Partially saturated tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-04-11 US disclosed
US-9561209-B2 Methods of treating liver diseases ZAFGEN, INC. (US) 2017-02-07 US disclosed
US-5410057-A 1-heteroarylazetidines and -pyrrolidines SANOFI (FR) 1995-04-25 US disclosed
WO-1994029336-A1 NEW PEPTIDE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1994-12-22 WO disclosed
EP-0591030-A2 1-Heteroaryl-azetidines and -pyrrolidines as 5-HT3 agonists SANOFI (FR) 1994-04-06 EP disclosed
US-4777175-A (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-10-11 US disclosed
US-4771054-A QUINOLINE CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
EP-0106489-B1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1988-07-27 EP disclosed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed
EP-0106489-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1984-04-25 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 (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-20240051985-A1 METTL3 MODULATORS METTL3, METTL16, METTL14 OPRM1 634/4885HRH1 4167/4885MEN1 2437/4885
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ENPEP, GOT2, METAP2 OPRM1 2518/4885HRH1 1636/4885MEN1 4063/4885
US-10064839-B2 Methods of treating liver diseases ENPEP, GOT2, METAP2 OPRM1 2518/4885HRH1 1636/4885MEN1 4063/4885
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, CES2, AADAC OPRM1 801/4885HRH1 2373/4885MEN1 2282/4885

“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.