SCHEMBL3709907

SCHEMBL3709907

CC1C2CC3CC(C(=O)Nc4ccccn4)(C2)CC1(c1ccc(Cl)cc1)C3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
P2RX7 Q99572 1/20 0.43
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
SPHK2 Q9NRA0 2/20 0.41
LMNA P02545 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
FFAR2 O15552 1/20 0.40
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNMA1 Q12791 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL2279802 0.75 P2RX7 (0.56) KMT2AP2RX7RAB9ANPC1TSHR
SCHEMBL22395410 0.73 P2RX7 (0.65) KMT2AP2RX7RAB9ANPC1TSHR
SCHEMBL12517119 0.71 P2RX7 (0.57) KMT2AP2RX7RAB9ANPC1TSHR
SCHEMBL2270219 0.69 GRM5 (0.54) P2RX7RAB9ANPC1TSHRMAPK1
SCHEMBL30794592 0.69 GRM5 (0.54) P2RX7RAB9ANPC1TSHRMAPK1
SCHEMBL12517631 0.66 P2RX7 (0.47) KMT2AP2RX7RAB9ATSHRMAPK1
SCHEMBL3709911 0.66 SPHK2 (0.70) KMT2AP2RX7ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1548377 0.66 LMNA (0.59) KMT2AALDH1A1SMN1; SMN2SPHK2LMNA
SCHEMBL29270879 0.63 KMT2A (1.00) KMT2ARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10978860 0.62 RAB9A (0.86) KMT2ARAB9ANPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US claimed
WO-2010129954-A1 TREATMENT OF ISCHEMIA-REPERFUSION INJURY APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-11-11 WO claimed

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-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 KMT2A 4046/4885P2RX7 3369/4885RAB9A 3003/4885

“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.