SCHEMBL19409993

SCHEMBL19409993

NCC(=O)N1CCCC1c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.48
▸ ADAM17 P78536 1/20 0.48
▸ PRMT5 O14744 1/20 0.47
▸ WDR77 Q9BQA1 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ DPP4 P27487 4/20 0.46
▸ DPP8 Q6V1X1 3/20 0.46
▸ DPP7 Q9UHL4 2/20 0.46
▸ CPT1A P50416 3/20 0.46
▸ CPT2 P23786 1/20 0.43
▸ SCD5 Q86SK9 1/20 0.43
▸ PREP P48147 2/20 0.42
▸ DPP9 Q86TI2 2/20 0.42
▸ FAP Q12884 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KCNK3 O14649 1/20 0.41
▸ NUDT1 P36639 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.41

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
SCHEMBL8296762 0.85 HSD11B1 (0.51) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL38659451 0.85 HSD11B1 (0.51) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL1329027 0.83 HSD11B1 (0.55) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL12459662 0.83 PPID (0.48) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL29504572 0.81 PRMT5 (0.55) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL31430923 0.81 PRMT5 (0.55) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL14818001 0.80 SMN1; SMN2 (0.52) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL3361751 0.79 PRMT5 (0.56) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL29785721 0.79 PRMT5 (0.56) HSD11B1ADAM17PRMT5WDR77NPC1
SCHEMBL22039535 0.76 HSD11B1 (0.54) HSD11B1ADAM17PRMT5WDR77NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436448-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF Merck Patent GmbH (DE) 2019-02-06 — — EP disclosed
WO-2017173048-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — WO disclosed
US-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — 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-20170283425-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF PPIG, PPIH, FKBP2 HSD11B1 510/4885ADAM17 569/4885PRMT5 3434/4885

“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.

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