SCHEMBL2801309

SCHEMBL2801309

O=C(c1cnc2c(Br)cnn2c1NCC1CCCCC1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
SIRT5 Q9NXA8 1/20 0.37
SPR P35270 3/20 0.37
CCR5 P51681 1/20 0.37
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KMT2A Q03164 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MGLL Q99685 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2798640 0.91 ADORA3 (0.43) ADORA3ADORA2AADORA1SIRT5SPR
SCHEMBL2802845 0.86 STAT6 (0.41) SIRT5SPRCCR5ALDH1A1L3MBTL1
SCHEMBL2803183 0.85 SPR (0.38) ADORA3ADORA2AADORA1SIRT5SPR
SCHEMBL2800647 0.82 NPC1 (0.39) SIRT5SPRCCR5ALDH1A1L3MBTL1
SCHEMBL2800833 0.82 GSK3B (0.47) MGLL
SCHEMBL2798420 0.81 SIRT5 (0.49) SIRT5SPRCCR5ALDH1A1L3MBTL1
SCHEMBL2799653 0.81 NPC1 (0.42) SIRT5SPRALDH1A1L3MBTL1KMT2A
SCHEMBL2800587 0.81 STAT6 (0.42) SPRALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL2801418 0.81 CHRM4 (0.42) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL2802442 0.81 AVPR1A (0.41) SIRT5SPRALDH1A1KDM4EMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 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 (1 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 ADORA3 3783/4885ADORA2A 4017/4885ADORA1 2960/4885

“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.