SCHEMBL3195964

SCHEMBL3195964

CC(C)(C)Cc1cccc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.48
▸ ENPP2 Q13822 1/20 0.48
▸ LOXL2 Q9Y4K0 4/20 0.48
▸ NOS1 P29475 7/20 0.47
▸ NOS2 P35228 7/20 0.47
▸ NOS3 P29474 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NCF1 P14598 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ ESR1 P03372 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ MRGPRX4 Q96LA9 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
SCHEMBL28043456 0.83 PNMT (0.45) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL22386740 0.83 TAAR1 (0.57) LOXL2NOS1NOS2NOS3SMN1; SMN2
SCHEMBL74590 0.81 ESR1 (0.58) LOXL2NOS1NOS2NOS3ESR1
SCHEMBL10422276 0.81 LOXL2 (0.71) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL36008 0.81 LOXL2 (0.71) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL27462487 0.80 ENPP2 (0.47) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL1691673 0.80 MAOB (0.54) ALDH1A1CYP3A4ESR1SLC6A2TAAR1
Propylamine SCHEMBL4356386 0.79 LOXL2 (0.55) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL27794492 0.79 ALDH1A1 (0.45) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL24855465 0.78 ESR1 (0.40) PNMTESR1SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 — — US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS UNIVERSITY OF KANSAS (US) 2022-01-06 — — US disclosed
US-11130736-B2 Human TLR8-selective agonists UNIVERSITY OF KANSAS (US) 2021-09-28 — — US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 — — US disclosed
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 — — WO disclosed
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 — — US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 — — US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 — — US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 — — EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 — — 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 (8 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-11130736-B2 Human TLR8-selective agonists TLR7, TLR8, TLR9 PNMT 4710/4885ENPP2 714/4885LOXL2 2014/4885
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 PNMT 3107/4885ENPP2 550/4885LOXL2 860/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 PNMT 3107/4885ENPP2 550/4885LOXL2 860/4885
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 PNMT 4674/4885ENPP2 1591/4885LOXL2 4569/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 PNMT 4674/4885ENPP2 1591/4885LOXL2 4569/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 PNMT 3107/4885ENPP2 550/4885LOXL2 860/4885
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS TLR7, TLR8, TLR9 PNMT 4710/4885ENPP2 714/4885LOXL2 2014/4885
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 PNMT 1471/4885ENPP2 594/4885LOXL2 3259/4885

“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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