Sugi Predict

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SCHEMBL6928659

SCHEMBL6928659

C=CCC1(C(=O)OC)CC(OCc2ccc(OC)cc2)CC(C(=O)OC)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ADAM17 P78536 2/20 0.34
▸ TP53 P04637 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL6928654 0.91 NAAA (0.37) NAAACDK5CDK5R1NPC1RAB9A
SCHEMBL6928220 0.77 CDK5 (0.48) NAAACDK5CDK5R1NPC1RAB9A
SCHEMBL6926870 0.76 NPC1 (0.37) CDK5CDK5R1NPC1RAB9AALDH1A1
SCHEMBL27043955 0.74 ALDH1A1 (0.36) NAAAP2RX7ALDH1A1MEN1KMT2A
SCHEMBL6935574 0.73 CHRNB2 (0.31) —
SCHEMBL26694970 0.69 FFAR1 (0.37) NAAANPC1RAB9AALDH1A1LMNA
SCHEMBL6928394 0.69 ADAM17 (0.36) CDK5CDK5R1NPC1RAB9AALDH1A1
SCHEMBL27043957 0.69 CYP3A4 (0.39) NAAANPC1RAB9AALDH1A1LMNA
SCHEMBL27043956 0.69 CYP3A4 (0.39) NAAANPC1RAB9AALDH1A1LMNA
SCHEMBL24036211 0.68 KMT2A (0.33) KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359297-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2016-06-07 — — US disclosed
US-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-07-10 — — US disclosed
EP-2493304-B1 SPIROLACTAM DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2014-02-26 — — EP disclosed
US-8633190-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2014-01-21 — — US disclosed
WO-2011053575-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-05-05 — — WO disclosed
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 — — 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-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D NAAA 3677/4885CDK5 2877/4885CDK5R1 1120/4885
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D NAAA 3677/4885CDK5 2877/4885CDK5R1 1120/4885

“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.