SCHEMBL3590738

SCHEMBL3590738

CN1CCN(c2cc(F)ccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.59
HRH3 Q9Y5N1 2/20 0.51
HTR3A P46098 2/20 0.50
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.46
RAD52 P43351 1/20 0.46
UBE2N P61088 1/20 0.46
CYP1A2 P05177 3/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDO2 P48775 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL22045136 0.83 HRH4 (0.51) HRH4HRH3ALDH1A1GAA
SCHEMBL3590735 0.82 HRH3 (0.44) HRH4HRH3ALDH1A1KDM4EHSD17B10
SCHEMBL16333432 0.81 HRH3 (0.42) HRH4HRH3HTR3AALDH1A1L3MBTL1
SCHEMBL10196855 0.80 HRH4 (0.61) HRH4HRH3HTR3AALDH1A1L3MBTL1
SCHEMBL13675040 0.79 HRH4 (0.59) HRH4HRH3HTR3AALDH1A1L3MBTL1
SCHEMBL18398955 0.79 HRH4 (0.59) HRH4HRH3HTR3AALDH1A1L3MBTL1
SCHEMBL29453869 0.79 HRH4 (0.59) HRH4HRH3HTR3AALDH1A1L3MBTL1
SCHEMBL22581914 0.79 ADRB1 (0.64) HRH3ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL15509065 0.79 HRH4 (0.59) HRH4HRH3HTR3AALDH1A1L3MBTL1
SCHEMBL31196150 0.79 PIK3CA (0.58) TDO2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
CN-116472047-B Arylamine derivative, preparation method and medical application thereof 中国医药研究开发中心有限公司 2025-06-17 CN disclosed
CN-116472047-A Arylamine derivative, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-07-21 CN disclosed
WO-2023078241-A1 AROMATIC AMINE DERIVATIVES AND PREPARATION METHOD AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2023-05-11 WO disclosed
WO-2023078241-A1 AROMATIC AMINE DERIVATIVES AND PREPARATION METHOD AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2023-05-11 WO disclosed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH HRH4 327/4885HRH3 412/4885HTR3A 330/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH HRH4 327/4885HRH3 412/4885HTR3A 330/4885

“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.