SCHEMBL21859527

SCHEMBL21859527

CCCCCCC(C)CC1CN(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.39
▸ OPRM1 P35372 1/20 0.35
▸ GUSB P08236 2/20 0.35
▸ EBP Q15125 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCH P24723 1/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ PRKCE Q02156 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ PRKCZ Q05513 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ PRKD1 Q15139 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GNAI3 P08754 1/20 0.33

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
SCHEMBL23251427 0.82 LMNA (0.43) OPRM1GUSBEBPSIGMAR1LMNA
SCHEMBL21859732 0.81 LMNA (0.42) GUSBEBPSIGMAR1LMNAGNAI3
SCHEMBL22500128 0.77 ALDH1A1 (0.47) ACE2OPRM1MAPT
SCHEMBL11677049 0.77 ALDH1A1 (0.47) ACE2OPRM1MAPT
SCHEMBL11677487 0.77 ALDH1A1 (0.47) ACE2OPRM1MAPT
SCHEMBL24029209 0.75 ACE2 (0.39) ACE2PRKD3PRKCGPRKCBPRKCA
SCHEMBL19038153 0.74 CYP1A2 (0.48) ACE2OPRM1MAPT
SCHEMBL5809132 0.74 GNAO1 (0.47) ACE2PRKD3PRKCGPRKCBPRKCA
SCHEMBL23332959 0.74 GNAI3 (0.40) ACE2OPRM1PRKD3PRKCGPRKCB
SCHEMBL24093422 0.72 OPRM1 (0.38) OPRM1GUSBEBPSIGMAR1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-31 — — 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-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R ACE2 705/4885OPRM1 69/4885GUSB 3657/4885

“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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