SCHEMBL18387767

SCHEMBL18387767

CCCC(C)(C)C(=O)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP11B1 P15538 1/20 0.58
▸ CYP11B2 P19099 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TBXAS1 P24557 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ APP P05067 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HCAR3 P49019 1/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.49
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ F7 P08709 1/20 0.47
▸ F3 P13726 1/20 0.47
▸ SARM1 Q6SZW1 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL26290927 0.88 LMNA (0.57) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL19223885 0.87 LMNA (0.61) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL18532530 0.86 LMNA (0.56) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL19223914 0.80 LMNA (0.61) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL9790521 0.80 HCAR2 (0.42) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL800635 0.79 LMNA (0.69) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL31703901 0.79 LMNA (0.69) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL28442493 0.79 CES1 (0.47) LMNACYP3A4TDP1GAACYP2C19
SCHEMBL26290922 0.79 LMNA (0.57) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL19379990 0.77 HDAC1 (0.55) LMNAALDH1A1GAAHDAC1HDAC3

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-11149043-B2 Prodrug modulators of the integrated stress pathway CALICO LIFE SCIENCES LLC (US) 2021-10-19 — — US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 — — US disclosed
US-9896452-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2018-02-20 — — US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 — — US disclosed
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. 2017-04-13 — — US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 — — 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-11149043-B2 Prodrug modulators of the integrated stress pathway ATF4, ATF1, DDIT3 LMNA 3749/4885CYP1A2 203/4885CYP3A4 154/4885
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 LMNA 4388/4885CYP1A2 443/4885CYP3A4 1532/4885
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 LMNA 1448/4885CYP1A2 18/4885CYP3A4 142/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 LMNA 4159/4885CYP1A2 4122/4885CYP3A4 3652/4885

“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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