SCHEMBL248440

SCHEMBL248440

c1ccc2c(C3CC3)cccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.59
DRD2 P14416 1/20 0.59
KDM1A O60341 1/20 0.55
MTNR1A P48039 2/20 0.55
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 3/20 0.47
IDO1 P14902 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2A6 P11509 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MTNR1B P49286 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLA2G6 O60733 2/20 0.41
MAPK1 P28482 2/20 0.41
FAAH O00519 1/20 0.41
NPC1 O15118 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
SCHEMBL30477104 1.00 SLC6A4 (0.59) SLC6A4DRD2KDM1AMTNR1ASLC6A2
SCHEMBL3968194 0.91 SLC6A4 (0.56) SLC6A4DRD2KDM1AMTNR1ASLC6A2
SCHEMBL497994 0.91 SLC6A4 (0.56) SLC6A4DRD2KDM1AMTNR1ASLC6A2
SCHEMBL7650624 0.90 SLC6A4 (0.55) SLC6A4DRD2KDM1AMTNR1ASLC6A2
SCHEMBL28701417 0.90 SLC6A4 (0.51) SLC6A4DRD2KDM1AMTNR1ASLC6A2
SCHEMBL24034816 0.90 SLC6A4 (0.51) SLC6A4DRD2KDM1AMTNR1ASLC6A2
SCHEMBL4047901 0.89 SLC6A4 (0.54) SLC6A4DRD2KDM1AMTNR1ASLC6A2
SCHEMBL30032791 0.89 SLC6A4 (0.54) SLC6A4DRD2KDM1AMTNR1ASLC6A2
SCHEMBL168782 0.89 SLC6A4 (0.54) SLC6A4DRD2KDM1AMTNR1ASLC6A2
SCHEMBL8747043 0.88 MTNR1A (0.50) SLC6A4DRD2KDM1AMTNR1AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417825-B Five-membered or six-membered fused ring pyrimidine cyclopropyl naphthalene derivative and preparation method and application thereof 山东大学 2024-06-28 CN claimed
WO-2023143034-A1 PYRIDOIMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2023-08-03 WO claimed
CN-114907344-B Beta-carboline-1-propionic acid and indole derivatives, and preparation method and application thereof 山东大学 2023-06-30 CN claimed
EP-4165033-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-04-19 EP claimed
CN-115417825-A Five-membered or six-membered fused ring pyrimidine cyclopropyl naphthalene derivative and preparation method and application thereof 山东大学 2022-12-02 CN claimed
CN-114907344-A Beta-carboline-1-propionic acid and indole derivatives, and preparation method and application thereof 山东大学 2022-08-16 CN claimed
CN-114874232-A Preparation method and application of thienopyrimidinone compound containing ethyl naphthalene structure 山东大学 2022-08-09 CN claimed
CN-114478522-A Pyridoimidazole derivative and preparation method and application thereof 山东大学 2022-05-13 CN claimed
WO-2021249449-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-12-16 WO claimed
US-11173146-B2 Selective activators of the intermediate conductance CA2+activated K+ channel KCa3.1 and their methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-16 US claimed
CN-105175414-A Imidazole [4,5-b] pyridine mercaptoacetamide derivative as well as preparation method and application thereof UNIV SHANDONG 2015-12-23 CN claimed
WO-2015164816-A2 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+-ACTIVATED K+ CHANNEL KCA3.1 AND THEIR METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 WO claimed
CN-104788318-A Method for preparing 4-nitro-cyclopropyl-naphthalene ASTATECH CHENGDU PHARM CO LTD 2015-07-22 CN claimed
WO-2014198241-A1 THIO-1,2,4-TRIAZOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-12-18 WO claimed
CN-104016927-A Pyrimidine thiol acetamide ramification as well as preparation method and application thereof UNIV SHANDONG 2014-09-03 CN claimed
CN-101899013-A 2-(2-substituted aryl-2H-1,2,4-triazole-3-sulfydryl) acetamide derivative and preparation method and application thereof UNIV SHANDONG 2010-12-01 CN claimed
EP-1654225-A4 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN INC (US) 2007-11-28 EP 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

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-11173146-B2 Selective activators of the intermediate conductance CA2+activated K+ channel KCa3.1 and their methods of use KCNN3, KCNN1, KCNN2 SLC6A4 856/4885DRD2 3347/4885KDM1A 835/4885
US-20050256161-A1 Melanin concentrating hormone receptor antagonists MCHR1, MC1R, NPY1R SLC6A4 158/4885DRD2 182/4885KDM1A 2300/4885

“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.