SCHEMBL2803222

SCHEMBL2803222

CC1CC2(CCN(C(=O)c3cnc4c(C(=O)NS(C)(=O)=O)cnn4c3NCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
HSD11B2 P80365 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
PDPK1 O15530 1/20 0.32
PRKCZ Q05513 1/20 0.32
MARK2 Q7KZI7 1/20 0.32
NAMPT P43490 3/20 0.32
THRB P10828 1/20 0.32
SPR P35270 1/20 0.31
HTR1A P08908 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
CRBN Q96SW2 1/20 0.31
VNN1 O95497 1/20 0.31
TACR1 P25103 1/20 0.31
SCN7A Q01118 1/20 0.31
SLC6A7 Q99884 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL2802406 0.93 MCHR2 (0.33) HSD11B1HSD11B2ALDH1A1KDM4EHPGD
SCHEMBL2803834 0.86 RBP4 (0.40) ALDH1A1TSHRTACR1
SCHEMBL2802503 0.85 CCR5 (0.34) ALDH1A1KDM4EHPGDPDPK1PRKCZ
SCHEMBL2801130 0.85 CCR5 (0.35) ALDH1A1KDM4EHPGDPDPK1PRKCZ
SCHEMBL2801692 0.85 AVPR1A (0.39) ALDH1A1KDM4EHPGDPDPK1PRKCZ
SCHEMBL2801247 0.85 IDO1 (0.39) ALDH1A1KDM4EHPGDPDPK1PRKCZ
SCHEMBL2803842 0.83 SCD5 (0.36) ALDH1A1KDM4EHPGDPDPK1PRKCZ
SCHEMBL2803194 0.82 AVPR1A (0.45) SPR
SCHEMBL2804011 0.82 NPY5R (0.42)
SCHEMBL2800930 0.82 MCHR2 (0.39) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSD11B1 907/4885HSD11B2 606/4885ALDH1A1 243/4885

“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.