SCHEMBL20841014

SCHEMBL20841014

c1ccc(Cn2nncc2CCOc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
P2RX7 Q99572 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP19A1 P11511 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
GAA P10253 2/20 0.40
DUT P33316 1/20 0.39
LTA4H P09960 1/20 0.39
KCNA3 P22001 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
POLB P06746 1/20 0.38
MITF O75030 1/20 0.38
PKM P14618 1/20 0.38
CDC7 O00311 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
SCHEMBL15874678 0.78 HSD11B1 (0.65) HSD11B1P2RX7CYP19A1SIRT2SIRT1
SCHEMBL15875458 0.78 HSD11B1 (0.61) HSD11B1P2RX7SIRT2SIRT1GAA
SCHEMBL4195851 0.76 HSD11B1 (0.61) HSD11B1P2RX7CYP19A1SIRT2SIRT1
SCHEMBL2898638 0.76 HSD11B1 (0.58) HSD11B1P2RX7CYP19A1SIRT2SIRT1
SCHEMBL21606708 0.75 HSD11B1 (0.77) HSD11B1P2RX7SIRT2SIRT1GAA
SCHEMBL18359857 0.74 HSD11B1 (0.56) HSD11B1P2RX7CYP19A1SIRT2SIRT1
SCHEMBL27855037 0.74 HSD11B1 (0.56) HSD11B1P2RX7CYP19A1SIRT2SIRT1
SCHEMBL11913659 0.73 HSD11B1 (0.55) HSD11B1P2RX7CYP19A1SIRT2SIRT1
SCHEMBL23812236 0.72 HSD11B1 (0.59) HSD11B1SIRT2SIRT1DUT
SCHEMBL15875668 0.72 HSD11B1 (0.53) HSD11B1P2RX7SIRT2SIRT1DUT

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-20200197526-A1 REFILLABLE DRUG DELIVERY DEVICES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-06-25 US disclosed
US-10240195-B2 Chemical methods for producing tagged nucleotides THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-03-26 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 (2 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-20200197526-A1 REFILLABLE DRUG DELIVERY DEVICES AND METHODS OF USE THEREOF LDLR, LIPA, ABCB11 HSD11B1 2280/4885P2RX7 3159/4885NPC1 8/4885
US-10240195-B2 Chemical methods for producing tagged nucleotides NT5C3B, NCL, NUDT1 HSD11B1 4373/4885P2RX7 1289/4885NPC1 535/4885

“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.