SCHEMBL168782

SCHEMBL168782

c1ccc2c(C3CCCCC3)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.54
DRD2 P14416 1/20 0.54
MTNR1A P48039 1/20 0.50
KDM1A O60341 1/20 0.50
HRH3 Q9Y5N1 1/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP1B1 Q16678 1/20 0.43
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX1 P07099 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL30032791 1.00 SLC6A4 (0.54) SLC6A4DRD2MTNR1AKDM1AHRH3
SCHEMBL4047901 1.00 SLC6A4 (0.54) SLC6A4DRD2MTNR1AKDM1AHRH3
SCHEMBL497994 0.98 SLC6A4 (0.56) SLC6A4DRD2MTNR1AKDM1AHRH3
SCHEMBL3968194 0.94 SLC6A4 (0.56) SLC6A4DRD2MTNR1AKDM1AHRH3
SCHEMBL30477104 0.89 SLC6A4 (0.59) SLC6A4DRD2MTNR1AKDM1AHRH3
SCHEMBL248440 0.89 SLC6A4 (0.59) SLC6A4DRD2MTNR1AKDM1AHRH3
SCHEMBL7746921 0.89 HPRT1 (0.50) SLC6A4DRD2MTNR1AKDM1AHRH3
SCHEMBL23301397 0.85 HPRT1 (0.50) SLC6A4DRD2MTNR1AKDM1ACYP1B1
SCHEMBL6567045 0.82 HPRT1 (0.52) SLC6A4DRD2MTNR1AKDM1ACYP1B1
SCHEMBL30129727 0.82 CYP1B1 (0.43) SLC6A4DRD2KDM1ACYP1B1ALDH1A1

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 1164 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594652-A Amine compound and organic light-emitting device thereof 长春海谱润斯科技股份有限公司(CN) 2023-01-13 CN claimed
CN-115424682-A Ethylene oligomerization catalyst molecule design method based on machine learning 华东理工大学 2022-12-02 CN claimed
CN-115417806-A Carbazole compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-12-02 CN claimed
CN-114907217-A Triamine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-08-16 CN claimed
CN-114773286-A Nitrogen-containing heterocyclic organic compound and organic light-emitting device thereof 长春海谱润斯科技股份有限公司 2022-07-22 CN claimed
CN-114656434-A Tetramine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-06-24 CN claimed
CN-114621181-A Star-shaped tetramine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-06-14 CN claimed
CN-114573536-A Star triarylamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-06-03 CN claimed
US-11021501-B2 Creatine phosphate analog prodrugs, compositions and methods of use thereof Farmington Pharma Development (US) 2021-06-01 US claimed
CN-108516919-B Preparation method of cyclohexyl derivative of naphthalene 吉林化工学院 2021-04-13 CN claimed
EP-1654225-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS Amgen, Inc. (US) 2006-05-10 EP claimed
US-20050256161-A1 Melanin concentrating hormone receptor antagonists AMGEN INC. 2005-11-17 US claimed
WO-2005019240-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN, INC. (US) 2005-03-03 WO claimed
US-5679282-A Chiral 2,6-difluorobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-10-21 US claimed
US-5043093-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-08-27 US claimed
EP-0152808-B1 NITROGEN CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1990-09-12 EP claimed
EP-0209622-B1 HYDROTERPHENYLS MERCK PATENT GmbH (DE) 1989-06-07 EP claimed
US-4702562-A MIXTURE-FOR MULTIPLEXING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-10-27 US claimed
US-4576850-A STABLE BODY FORMED BY FOLDS; FREE-STANDING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-03-18 US claimed
US-4459391-A Method of making and a polymer of heat resistant polyester using diglycidil substituted diimides UNITIKA LIMITED (JP) 1984-07-10 US claimed

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-20050256161-A1 Melanin concentrating hormone receptor antagonists MCHR1, MC1R, NPY1R SLC6A4 158/4885DRD2 182/4885MTNR1A 16/4885
US-11021501-B2 Creatine phosphate analog prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, SLC2A1, SLC2A4 SLC6A4 361/4885DRD2 4483/4885MTNR1A 2464/4885

“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.