SCHEMBL19652287

SCHEMBL19652287

CC1CCCN(C2CCN(C(=O)C(C)C)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 15/20 0.50
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 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
SCHEMBL17516257 0.90 ALDH1A1 (0.50) ADRA1ACYP3A4CYP2C19ALDH1A1MEN1
SCHEMBL18251701 0.83 CYP3A4 (0.52) CYP3A4CYP2C19
SCHEMBL17152376 0.82 DPP4 (0.46) ADRA1ACYP3A4CYP2C19
SCHEMBL19658401 0.82 ADRA1A (0.50) ADRA1AALDH1A1LMNA
SCHEMBL31482179 0.82 ADRA1A (0.50) ADRA1AALDH1A1LMNA
SCHEMBL12396446 0.82 CYP3A4 (0.55) CYP3A4CYP2C19ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL18145297 0.81 ALDH1A1 (0.51) ADRA1AALDH1A1LMNA
SCHEMBL18267300 0.80 ALDH1A1 (0.58) CYP3A4CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL25604665 0.80 ALDH1A1 (0.58) CYP3A4CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL478903 0.80 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNA

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
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 ADRA1A 1517/4885CYP3A4 4473/4885CYP2C19 4039/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ADRA1A 1517/4885CYP3A4 4473/4885CYP2C19 4039/4885

“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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