SCHEMBL2487482

SCHEMBL2487482

CCCN[C@H](CCC)Cc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.54
BCHE P06276 1/20 0.53
HTR1A P08908 2/20 0.52
ADRB1 P08588 1/20 0.52
ADRA2A P08913 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2C P28335 1/20 0.52
HTR1E P28566 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
HTR6 P50406 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CTSL P07711 1/20 0.51
KDM4E B2RXH2 3/20 0.49
GPR84 Q9NQS5 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL6024202 1.00 HTR2A (0.54) HTR2ABCHEHTR1AADRB1ADRA2A
Hydrochloric Acid SCHEMBL2490437 0.99 HTR2A (0.52) HTR2ABCHEHTR1AADRB1ADRA2A
Hydrochloric Acid SCHEMBL6024099 0.99 HTR2A (0.52) HTR2ABCHEHTR1AADRB1ADRA2A
SCHEMBL23679540 0.86 HTR2A (0.56) HTR2AHTR1AADRB1ADRA2ASLC6A2
SCHEMBL6023654 0.82 HTR1B (0.41) BCHEHTR1AADRB1HTR1DHTR1B
SCHEMBL26084484 0.82 HTR2A (0.55) HTR2AHTR1AADRB1ADRA2ASLC6A2
Hydrochloric Acid SCHEMBL6023966 0.81 HTR1B (0.40) BCHEHTR1AADRB1HTR1DHTR1B
SCHEMBL28271507 0.81 BCHE (0.59) HTR2ABCHEHTR1AADRB1ADRA2A
SCHEMBL28273031 0.81 BCHE (0.59) HTR2ABCHEHTR1AADRB1ADRA2A
SCHEMBL28271495 0.81 BCHE (0.59) HTR2ABCHEHTR1AADRB1ADRA2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226852-B1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIV (HU) 2020-03-18 EP claimed
US-10258599-B2 Compounds for use in the prevention or treatment of cancer SEMMELWEIS UNIVERSITY (HU) 2019-04-16 US claimed
US-20170319535-A1 COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIVERSITY (HU) 2017-11-09 US claimed
EP-3226852-A1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER Semmelweis University (HU) 2017-10-11 EP claimed
CN-107205965-A For prevention or the aralkylamine compound for the treatment of cancer 森梅威思大学 2017-09-26 CN claimed
WO-2016088112-A1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIVERSITY (HU) 2016-06-09 WO claimed
CN-107205965-B Arylalkyl amine compounds for preventing or treating cancer 森梅威思大学 2020-10-27 CN disclosed
EP-3226852-B1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIV (HU) 2020-03-18 EP disclosed
US-10258599-B2 Compounds for use in the prevention or treatment of cancer SEMMELWEIS UNIVERSITY (HU) 2019-04-16 US disclosed
US-20170319535-A1 COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIVERSITY (HU) 2017-11-09 US disclosed
US-20170319535-A1 COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIVERSITY (HU) 2017-11-09 US disclosed
EP-3226852-A1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER Semmelweis University (HU) 2017-10-11 EP disclosed
WO-2016088112-A1 ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER SEMMELWEIS UNIVERSITY (HU) 2016-06-09 WO disclosed
US-8178686-B2 Process for preparing optically active aminopentane derivative, intermediate and process for preparing intermediate FUJIMOTO CO., LTD. (JP) 2012-05-15 US disclosed
EP-1905760-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE IN THE PROCESS AND PROCESS FOR PRODUCTION OF THE INTERMEDIATE FUJIMOTO CO LTD (JP) 2011-10-26 EP disclosed
US-20100324300-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE AND PROCESS FOR PREPARING INTERMEDIATE YONEDA FUMIO 2010-12-23 US disclosed
US-7807840-B2 Process for preparing optically active aminopentane derivative, intermediate and process for preparing intermediate FUJIMOTO CO., LTD. (JP) 2010-10-05 US disclosed
US-20090124813-A1 Process for Preparing Optically Active Aminopentane Derivative, Intermediate and Process for Preparing Intermediate FUJIMOTO CO., LTD. (JP) 2009-05-14 US disclosed
EP-1905760-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE IN THE PROCESS AND PROCESS FOR PRODUCTION OF THE INTERMEDIATE Fujimoto Co., Ltd. (JP) 2008-04-02 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-20090124813-A1 Process for Preparing Optically Active Aminopentane Derivative, Intermediate and Process for Preparing Intermediate API5, CASP5, BAD HTR2A 96/4885BCHE 246/4885HTR1A 42/4885
US-10258599-B2 Compounds for use in the prevention or treatment of cancer TMSB10, PNMT, HNMT HTR2A 590/4885BCHE 516/4885HTR1A 607/4885
US-20170319535-A1 COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER TMSB10, PNMT, HNMT HTR2A 603/4885BCHE 499/4885HTR1A 590/4885
US-20100324300-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE AND PROCESS FOR PREPARING INTERMEDIATE API5, CASP5, BAD HTR2A 96/4885BCHE 246/4885HTR1A 42/4885

“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.