SCHEMBL17060397

SCHEMBL17060397

Cn1cc(C2CCCC2)c2cc(N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
SLC6A4 P31645 2/20 0.49
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
SCN9A Q15858 4/20 0.42
SCN5A Q14524 2/20 0.42
RORC P51449 6/20 0.42
PRKCI P41743 1/20 0.38
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APP P05067 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
SCHEMBL17060402 0.98 DRD2 (0.48) DRD2SLC6A4HTR1DHTR1BSCN9A
SCHEMBL3352752 0.88 HTR1B (0.57) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL12127334 0.86 SCN9A (0.52) DRD2SLC6A4HTR1DHTR1BSCN9A
SCHEMBL26630179 0.85 DRD2 (0.48) DRD2SLC6A4HTR1DHTR1BSCN9A
SCHEMBL3351361 0.84 DRD2 (0.50) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL3355377 0.83 DRD2 (0.62) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL3348378 0.83 DRD2 (0.49) DRD2SLC6A4HTR1DHTR1BRORC
SCHEMBL17495380 0.83 RORC (0.64) RORC
SCHEMBL15712564 0.83 DRD2 (0.50) DRD2SLC6A4SCN9ASCN5ARORC
Hydrochloric Acid SCHEMBL17495540 0.82 RORC (0.63) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
CN-104870422-B Amine derivative or its salt 富士胶片富山化学株式会社 2019-03-15 CN disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
CN-104870422-A Novel amine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-08-26 CN 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-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF HRH4, CLIC4, KRT18 DRD2 2201/4885SLC6A4 1980/4885HTR1D 3897/4885

“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.