SCHEMBL2802606

SCHEMBL2802606

O=C(O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC4(CCc5ccccc54)CC3)cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.49
HPGDS O60760 1/20 0.42
OPRL1 P41146 8/20 0.41
SIGMAR1 Q99720 4/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
TACR1 P25103 2/20 0.41
TACR2 P21452 1/20 0.40
OPRK1 P41145 3/20 0.40
HSD11B1 P28845 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KRAS P01116 1/20 0.37

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
SCHEMBL2801078 0.92 RBP4 (0.44) RBP4HPGDSOPRL1SIGMAR1ALDH1A1
SCHEMBL2803834 0.91 RBP4 (0.40) RBP4HPGDSOPRL1SIGMAR1ALDH1A1
SCHEMBL2799515 0.87 ADORA3 (0.37) RBP4ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2800787 0.85 ALDH1A1 (0.42) RBP4ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL2799905 0.85 AVPR1A (0.46) OPRL1
SCHEMBL2802426 0.85 IDO1 (0.43) RBP4ADORA3ADORA2AADORA1SRC
SCHEMBL2801267 0.84 RBP4 (0.51) RBP4HPGDSOPRL1ALDH1A1TP53
SCHEMBL2802782 0.82 SRC (0.38) ALDH1A1CYP3A4ADORA3ADORA2AADORA1
SCHEMBL2801253 0.82 FFAR1 (0.40) HSD11B1ADORA3ADORA2AADORA1
SCHEMBL2801151 0.81 TRPA1 (0.36) ALDH1A1TSHRADORA3ADORA2AADORA1

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 RBP4 92/4885HPGDS 1570/4885OPRL1 4872/4885

“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.