SCHEMBL27212840

SCHEMBL27212840

CN1C(=O)C2(CCC3(CC2)OCCO3)c2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
ANPEP P15144 3/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
OPRD1 P41143 1/20 0.39
APP P05067 1/20 0.39
IP6K1 Q92551 1/20 0.38

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
SCHEMBL15560244 0.89 MAPT (0.48) PKMMAPTSMN1; SMN2TP53KMT2A
SCHEMBL27212952 0.85 OPRM1 (0.53) PKMMAPTKMT2ALMNAPOLB
SCHEMBL22479636 0.85 MAPT (0.46) PKMMAPTSMN1; SMN2TP53KMT2A
SCHEMBL27212895 0.84 POLB (0.40) PKMMAPTSMN1; SMN2TP53KMT2A
SCHEMBL30954723 0.83 OPRM1 (0.46) PKMMAPTSMN1; SMN2TP53KMT2A
SCHEMBL30954712 0.83 KCNK2 (0.47) PKMMAPTSMN1; SMN2TP53KMT2A
SCHEMBL30954708 0.82 BACE1 (0.52) PKMMAPTSMN1; SMN2TP53KMT2A
SCHEMBL27213056 0.82 OPRL1 (0.40) MAPTSMN1; SMN2KMT2ALMNAPOLB
SCHEMBL29806554 0.81 OPRL1 (0.42) POLBOPRM1OPRK1OPRL1OPRD1
SCHEMBL27212942 0.81 POLB (0.38) MAPTSMN1; SMN2TP53KMT2APOLB

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-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 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-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 PKM 2475/4885MAPT 2988/4885SMN1; SMN2 1578/4885

“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.