SCHEMBL3397631

SCHEMBL3397631

N#Cc1cccn1CCCl

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
CCR10 P46092 15/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL10445780 0.80 CCR10 (0.36) SLC6A2SLC6A4SLC6A3LMNAGLA
SCHEMBL4970264 0.80 TGFBR1 (0.34) SLC6A2SLC6A4SLC6A3LMNAGLA
SCHEMBL10504247 0.80 CCR10 (0.36) SLC6A2SLC6A4SLC6A3LMNAGLA
SCHEMBL6332741 0.76 HTR2C (0.45) SLC6A2SLC6A4SLC6A3LMNACCR10
SCHEMBL27936480 0.74 ALDH1A1 (0.47) HDAC8HDAC6
SCHEMBL27993369 0.71 LMNA (0.33) SLC6A2SLC6A4SLC6A3LMNAGLA
SCHEMBL27608334 0.68 LMNA (0.35) SLC6A2SLC6A4SLC6A3LMNAGLA
SCHEMBL13692344 0.67 DBH (0.47) SLC6A2SLC6A4SLC6A3LMNAHDAC8
SCHEMBL27739596 0.67
SCHEMBL11491021 0.66 CYP19A1 (0.36) LMNAHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246347-B1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF SHANGHAI HENGRUI PHARM CO LTD (CN) 2016-09-28 EP disclosed
US-8415349-B2 Dicycloazaalkane derivatives, preparation processes and medical uses thereof Jiangsu Hansoh Pharmaceuticals Co., Ltd. (CN) 2013-04-09 US disclosed
US-20130012705-A1 DICYCLOAZAALKANE DERIVATIVES, PREPARATION PROCESSES AND MEDICAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2013-01-10 US disclosed
US-8304411-B2 Dicycloazaalkane derivates, preparation processes and medical uses thereof JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2012-11-06 US disclosed
US-20100311747-A1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2010-12-09 US disclosed
EP-2246347-A1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-11-03 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 (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-20130012705-A1 DICYCLOAZAALKANE DERIVATIVES, PREPARATION PROCESSES AND MEDICAL USES THEREOF DPP4, DPP8, DPP7 SLC6A2 2681/4885SLC6A4 970/4885SLC6A3 915/4885
US-20100311747-A1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF DPP4, DPP8, DPP7 SLC6A2 2976/4885SLC6A4 1039/4885SLC6A3 936/4885

“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.