SCHEMBL750128

SCHEMBL750128

O=CCCCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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 SCHEMBL27381398 0.98 HRH3 (0.54) HRH3SMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL678406 0.98 HRH3 (0.52) HRH3SMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL7381954 0.93 HRH3 (0.61) HRH3SMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL7282481 0.91 HRH3 (0.65) HRH3SMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL10695730 0.91 HRH3 (0.65) HRH3SMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL7293644 0.91 HRH3 (0.65) HRH3SMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL7281286 0.91 HRH3 (0.65) HRH3SMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL7283494 0.91 HRH3 (0.65) HRH3SMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL7382944 0.91 HRH3 (0.65) HRH3SMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL678971 0.91 HRH3 (0.56) HRH3SMN1; SMN2CYP1A2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968145-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS Mallinckrodt LLC (US) 2016-01-20 EP claimed
WO-2014160392-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS MALLINCKRODT LLC (US) 2014-10-02 WO claimed
US-20140271822-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS MALLINCKRODT LLC (US) 2014-09-18 US claimed
CN-102095808-B Analysis method of related substances in Ebastine CHONGQING HUAPONT PHARM CO LTD 2014-04-02 CN claimed
WO-2005107744-A1 NERVE DAMAGE ROELANTS, IVO (BE) 2005-11-17 WO claimed
CN-1230958-A Oxazolone derivatives and their use as anti-helicobacter pylori agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-10-06 CN claimed
CN-112888310-A Additive for stabilizing polyacrylamide copolymer solutions under high shear conditions 巴斯夫欧洲公司 2021-06-01 CN disclosed
CN-109456328-A 11- replaces 1,6- diaza benzo anthracyclinone derivatives and its synthetic method and application 广西师范大学 2019-03-12 CN disclosed
CN-109438445-A 8- replaces 1,6- diaza benzo anthracyclinone derivatives and its synthetic method and application 广西师范大学 2019-03-08 CN disclosed
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2018-08-09 US disclosed
US-9968554-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-05-15 US disclosed
US-20140356417-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-12-04 US disclosed
US-20140135319-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0418696-A2 Derivatives of aminoacids MERCK PATENT GmbH (DE) 1991-03-27 EP disclosed
CN-1037155-A Amino acid derivative MERCK PATENT GMBH (DE) 1989-11-15 CN disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0337334-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-10-18 EP disclosed
US-4755522-A Derivatives of N-[3-(2,4,6-trimethoxybenzoyl)propyl]piperidine, and their use in therapeutics LABORATOIRE L. LAFON (FR) 1988-07-05 US disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 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-20140271822-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS SGMS2, PHOSPHO1, SGMS1 HRH3 2658/4885SMN1; SMN2 4746/4885CYP1A2 1243/4885
US-20140135319-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS TK1, CDK1, CDKL1 HRH3 1499/4885SMN1; SMN2 1787/4885CYP1A2 1317/4885
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 HRH3 2395/4885SMN1; SMN2 985/4885CYP1A2 4232/4885
US-20140356417-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 HRH3 2395/4885SMN1; SMN2 985/4885CYP1A2 4232/4885

“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.