Sugi Predict

Sugi Predict / Compounds / SCHEMBL9920178

SCHEMBL9920178

SCHEMBL9920178

CC(C)N[C@@H]1CCCC[C@H]1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ ERAP2 Q6P179 1/20 0.39
▸ PIM1 P11309 4/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ KAT2B Q92831 1/20 0.31

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
SCHEMBL13199862 1.00 THRB (0.43) THRBMEN1KMT2AMMP2MMP9
SCHEMBL14213441 1.00 THRB (0.43) THRBMEN1KMT2AMMP2MMP9
SCHEMBL13199860 1.00 THRB (0.43) THRBMEN1KMT2AMMP2MMP9
SCHEMBL18484796 1.00 THRB (0.43) THRBMEN1KMT2AMMP2MMP9
SCHEMBL104104 1.00 THRB (0.43) THRBMEN1KMT2AMMP2MMP9
Hydrochloric Acid SCHEMBL29073440 0.98 THRB (0.41) THRBMEN1KMT2AMMP2MMP9
Hydrochloric Acid SCHEMBL29073439 0.98 THRB (0.41) THRBMEN1KMT2AMMP2MMP9
Hydrochloric Acid SCHEMBL26597819 0.98 THRB (0.41) THRBMEN1KMT2AMMP2MMP9
SCHEMBL14518839 0.95 THRB (0.36) THRBMEN1KMT2AMMP2MMP9
SCHEMBL14518842 0.95 THRB (0.36) THRBMEN1KMT2AMMP2MMP9

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-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2021-03-25 — — US disclosed
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 — — US disclosed
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 — — US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — US disclosed
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES VAN EIS MAURICE 2010-05-27 — — 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 (4 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 THRB 3435/4885MEN1 888/4885KMT2A 774/4885
US-20100130469-A1 2, 6-NAPHTHRIDINE DERIVATIVES PKN1, PKN2, CDK9 THRB 3433/4885MEN1 1566/4885KMT2A 1437/4885
US-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES CD38, TRPC1, TRPC4 THRB 2402/4885MEN1 3736/4885KMT2A 3545/4885
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 THRB 4430/4885MEN1 2230/4885KMT2A 1394/4885

“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.