SCHEMBL3589547

SCHEMBL3589547

CC(C)C[C@@H](CO)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAOB P27338 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL26457766 1.00 TSHR (0.42) TSHRMAOBTDP1ALDH1A1MAPK1
SCHEMBL3589545 1.00 TSHR (0.42) TSHRMAOBTDP1ALDH1A1MAPK1
SCHEMBL13995988 0.82 MAOB (0.39) TSHRMAOBALDH1A1MAPK1
SCHEMBL26138018 0.79 TSHR (0.38) TSHRMAOBTDP1
SCHEMBL824974 0.78
SCHEMBL29163758 0.76 TSHR (0.40) TSHRTDP1ALDH1A1
SCHEMBL26138022 0.75 MAPT (0.36) TSHRMAOB
SCHEMBL19397686 0.74 MAOB (0.35) TSHRMAOBALDH1A1MAPK1
SCHEMBL14175019 0.74 MAOB (0.35) TSHRMAOBALDH1A1MAPK1
SCHEMBL19397681 0.74 MAOB (0.35) TSHRMAOBALDH1A1MAPK1

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-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-20100056575-A1 Anesthetic Compounds SIGNATURE THERAPEUTICS, INC. 2010-03-04 US disclosed
US-20100056575-A1 Anesthetic Compounds SIGNATURE THERAPEUTICS, INC. 2010-03-04 US disclosed
US-20100056575-A1 Anesthetic Compounds SIGNATURE THERAPEUTICS, INC. 2010-03-04 US disclosed
WO-2008011539-A2 ANESTHETIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-01-24 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 (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-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R TSHR 238/4885MAOB 1333/4885TDP1 4822/4885
US-20100056575-A1 Anesthetic Compounds OPRL1, OPRM1, CYP3A5 TSHR 3642/4885MAOB 595/4885TDP1 1619/4885

“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.