SCHEMBL6024641

SCHEMBL6024641

CCCNC(CCC)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.73
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CNR1 P21554 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
MC4R P32245 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SCN1A P35498 1/20 0.45

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
SCHEMBL19639848 1.00 SIGMAR1 (0.73) SIGMAR1MEN1KMT2AADRB2ADRB1
Hydrochloric Acid SCHEMBL9156272 0.98 SIGMAR1 (0.71) SIGMAR1MEN1KMT2A
SCHEMBL8977010 0.89 SIGMAR1 (0.65) SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL9249699 0.89 SIGMAR1 (0.67) SIGMAR1MEN1KMT2A
SCHEMBL9156241 0.88 SIGMAR1 (0.68) SIGMAR1MEN1KMT2AADRB2ADRB1
SCHEMBL8976808 0.87 SIGMAR1 (0.65) SIGMAR1MEN1KMT2ASLC6A4
SCHEMBL8091277 0.86 SIGMAR1 (0.91) SIGMAR1MEN1KMT2A
SCHEMBL9373855 0.85 SIGMAR1 (1.00) SIGMAR1MEN1KMT2A
SCHEMBL9158626 0.85 SIGMAR1 (0.73) SIGMAR1MEN1KMT2ACNR1
SCHEMBL13359251 0.84 SIGMAR1 (0.61) SIGMAR1MEN1KMT2AADRB1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107205966-B Arylalkyl amine compounds for preventing or treating cancer 森梅威思大学 2021-01-26 CN claimed
EP-3226851-B1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIV (HU) 2020-03-18 EP claimed
US-10258598-B2 Compounds for use in the prevention or treatment of cancer SEMMELWEIS UNIVERSITY (HU) 2019-04-16 US claimed
US-20170340582-A1 COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER FUJIMOTO CO. LTD. (JP) 2017-11-30 US claimed
EP-0284621-B1 NEW PSYCHOSTIMULANT AGENT CHINOIN GYOGYSZER ES VEGYESZET (HU) 1995-01-18 EP claimed
EP-0617615-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1994-10-05 EP claimed
WO-1993012775-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-07-08 WO claimed
US-5220068-A N-propyl-1-phenyl-2-alkylamines CHINOIN GYOGYSZER - ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-06-15 US claimed
US-5075338-A Using aryl secondary amine CHINOIN GYOGYSZER- ES VERGYESZETI TERMEKEK GYARA RT. (HU) 1991-12-24 US claimed
EP-0284621-A1 NEW PSYCHOSTIMULANT AGENT. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1988-10-05 EP claimed
WO-1988002254-A1 NEW PSYCHOSTIMULANT AGENT Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1988-04-07 WO claimed
CN-107205966-B Arylalkyl amine compounds for preventing or treating cancer 森梅威思大学 2021-01-26 CN disclosed
EP-3226851-B1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIV (HU) 2020-03-18 EP disclosed
EP-3226852-B1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIV (HU) 2020-03-18 EP disclosed
US-10258598-B2 Compounds for use in the prevention or treatment of cancer SEMMELWEIS UNIVERSITY (HU) 2019-04-16 US disclosed
WO-1993012775-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-07-08 WO disclosed
US-5220068-A N-propyl-1-phenyl-2-alkylamines CHINOIN GYOGYSZER - ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-06-15 US disclosed
US-5075338-A Using aryl secondary amine CHINOIN GYOGYSZER- ES VERGYESZETI TERMEKEK GYARA RT. (HU) 1991-12-24 US disclosed
EP-0284621-A1 NEW PSYCHOSTIMULANT AGENT. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1988-10-05 EP disclosed
WO-1988002254-A1 NEW PSYCHOSTIMULANT AGENT Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1988-04-07 WO 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-20170340582-A1 COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER TMSB10, PNMT, HNMT SIGMAR1 2705/4885MEN1 125/4885KMT2A 504/4885
US-10258598-B2 Compounds for use in the prevention or treatment of cancer TMSB10, PNMT, HNMT SIGMAR1 2675/4885MEN1 140/4885KMT2A 488/4885

“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.