SCHEMBL2098379

SCHEMBL2098379

CN(C)c1ccc(Br)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
CCR5 P51681 1/20 0.35
RBP4 P02753 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CA2 P00918 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.31
APP P05067 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
EDNRA P25101 1/20 0.30
ALOX15 P16050 2/20 0.30
USP2 O75604 1/20 0.30
ALPL P05186 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ATP2A2 P16615 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
SCHEMBL381965 0.79 ALDH1A1 (0.41) PTGDR2CCR5RBP4MAPK1LMNA
SCHEMBL20909917 0.77 ALDH1A1 (0.41) POLBCA2LMNAALDH1A1GAA
SCHEMBL24848636 0.77 CYP1A2 (0.41) CA2LMNAALDH1A1GAAKMT2A
SCHEMBL12401762 0.75 GAA (0.52) RBP4POLBMAPK1LMNAALDH1A1
SCHEMBL30874683 0.75 PTGDR2 (0.46) PTGDR2RBP4POLBMAPK1CA2
SCHEMBL9248443 0.75 PTGDR2 (0.46) PTGDR2RBP4POLBMAPK1CA2
SCHEMBL24094415 0.74 HRH4 (0.33) CCR5HRH4
SCHEMBL9566865 0.73 ALOX15 (0.42) CCR5POLBMAPK1LMNAALDH1A1
SCHEMBL30645676 0.73 PTGDR2 (0.44) PTGDR2RBP4MAPK1CA2LMNA
SCHEMBL7178861 0.73 PTGDR2 (0.44) PTGDR2RBP4MAPK1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC (US) 2023-04-06 US disclosed
US-11299493-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2022-04-12 US disclosed
EP-3694861-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2020-08-19 EP disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-8163952-B2 RAR receptor agonist ligands and use thereof in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-04-24 US disclosed
EP-2146951-B1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2010-12-01 EP disclosed
US-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-14 US 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 (4 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-11299493-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, NME1 PTGDR2 1956/4885CCR5 3708/4885RBP4 4765/4885
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 PTGDR2 1956/4885CCR5 3708/4885RBP4 4765/4885
US-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS RARA, RARB, RARG PTGDR2 205/4885CCR5 419/4885RBP4 99/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 PTGDR2 1956/4885CCR5 3708/4885RBP4 4765/4885

“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.