SCHEMBL8305519

SCHEMBL8305519

Cc1ncc(N2CCNC2=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CCNT1 O60563 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND3 P30281 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK6 Q00534 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
OPRL1 P41146 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP2C9 P11712 2/20 0.35
MAP3K5 Q99683 1/20 0.35

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
SCHEMBL8285969 0.89 THRB (0.38) CYP3A4SMN1; SMN2CYP1A2TSHRHSD17B10
SCHEMBL14490582 0.81 DRD3 (0.44) CYP3A4SMN1; SMN2CYP1A2TSHRHSD17B10
SCHEMBL8306614 0.77 SLC6A2 (0.40) CDK4CDK6OPRL1MAP4K1CHRNB2
SCHEMBL18291708 0.75 SMN1; SMN2 (0.42) CYP3A4SMN1; SMN2CYP1A2TSHRHSD17B10
SCHEMBL22940096 0.75 CRBN (0.54) OPRL1
SCHEMBL30797269 0.74 CYP3A4 (0.39) CYP3A4SMN1; SMN2CYP1A2TSHRHSD17B10
SCHEMBL20249255 0.74 CYP1A2 (0.41) CYP3A4SMN1; SMN2CYP1A2TSHRHSD17B10
SCHEMBL2883318 0.73 ADRB1 (0.47) SMN1; SMN2MEN1KMT2ADRD2DRD3
SCHEMBL8285968 0.71 DRD3 (0.42) SMN1; SMN2CCNT1CDK4CCND1CCND3
SCHEMBL2960834 0.71 ADRB2 (0.48) CYP3A4SMN1; SMN2CYP1A2TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD CYP3A4 1311/4885SMN1; SMN2 2952/4885CYP1A2 2478/4885

“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.