SCHEMBL13310554

SCHEMBL13310554

CC(C)(C)c1ccccc1CNC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 4/20 0.44
▸ HTT P42858 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ PABPC1 P11940 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40

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
SCHEMBL13310550 0.97 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL13310553 0.95 CYP2D6 (0.51) CYP2D6CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL17549761 0.93 KMT2A (0.46) CYP2D6CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL8265284 0.75 HTT (0.61) CYP2D6CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL13347703 0.75 KMT2A (0.51) LMNAHTTKMT2AKDM4EPKM
SCHEMBL5560421 0.75 MRGPRX1 (0.51) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL531088 0.75 KDM4E (0.51) CYP2D6CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL9346814 0.74 KDM4E (0.53) CYP2D6CYP1A2CYP2C9CYP2C19LMNA
Hydrochloric Acid SCHEMBL11781117 0.74 HTT (0.50) CYP2D6CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL24246243 0.74 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 — — US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 — — 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 (1 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-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH CYP2D6 675/4885CYP1A2 842/4885CYP2C9 553/4885

“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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