SCHEMBL20176279

SCHEMBL20176279

Cc1cnc(OCCN)cn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
IKBKB O14920 1/20 0.33
POLB P06746 1/20 0.32
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
LTA4H P09960 1/20 0.31
PLA2G2A P14555 1/20 0.31
UHRF1 Q96T88 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL31445673 1.00 TAAR1 (0.34) TAAR1KDM4ERXRAGRIN1GRIN2B
SCHEMBL7935597 0.83 APP (0.35) RXRAGRIN1GRIN2BPOLB
SCHEMBL27616482 0.81 SIRT6 (0.46) TAAR1KDM4E
SCHEMBL7935485 0.81 GABRP (0.39) KDM4ERXRAGRIN1GRIN2BPOLB
SCHEMBL46342 0.79 TSHR (0.37) KDM4EPOLBCYP1A2CYP2C19HPGD
SCHEMBL12301435 0.79 MAPT (0.44) KDM4EPOLBCYP1A2CYP2C19HPGD
SCHEMBL2669087 0.79 KMT2A (0.46) KDM4EIKBKBPOLBCYP1A2CYP2C19
SCHEMBL12445699 0.79 KDM4E (0.35) KDM4ERXRAGRIN1GRIN2BPOLB
SCHEMBL12301544 0.79 RXRA (0.34) KDM4ERXRAGRIN1GRIN2BPOLB
SCHEMBL9071118 0.78 HPGD (0.34) KDM4EPOLBCYP1A2CYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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 (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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 TAAR1 4179/4885KDM4E 2462/4885RXRA 544/4885

“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.