SCHEMBL3840904

SCHEMBL3840904

CN1C(=O)C2(CCNCC2)c2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
OPRM1 P35372 4/20 0.41
OPRL1 P41146 4/20 0.41
OPRK1 P41145 3/20 0.41
OPRD1 P41143 1/20 0.41
BACE1 P56817 5/20 0.41
IP6K1 Q92551 1/20 0.40
PKM P14618 1/20 0.38
KCNK2 O95069 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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 0.90 MAPT (0.48) MAPTLMNATP53KMT2ASMN1; SMN2
SCHEMBL22471605 0.89 OPRK1 (0.41) MAPTLMNATP53KMT2ASMN1; SMN2
SCHEMBL30898612 0.89 OPRK1 (0.41) MAPTLMNATP53KMT2ASMN1; SMN2
SCHEMBL30954712 0.87 KCNK2 (0.47) MAPTLMNATP53KMT2ASMN1; SMN2
SCHEMBL30954723 0.87 OPRM1 (0.46) MAPTLMNATP53KMT2ASMN1; SMN2
SCHEMBL17584768 0.85 MAPT (0.41) MAPTLMNATP53KMT2ASMN1; SMN2
SCHEMBL13480017 0.84 OPRM1 (0.56) MAPTLMNAKMT2AALDH1A1OPRM1
SCHEMBL17584777 0.84 OPRM1 (0.47) MAPTLMNATP53KMT2ASMN1; SMN2
SCHEMBL25357037 0.83 POLB (0.52) KMT2AALDH1A1OPRM1OPRL1OPRK1
SCHEMBL5320118 0.83 OPRM1 (0.44) MAPTLMNAOPRM1OPRL1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008760-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED 2026-01-08 US disclosed
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INT (DE) 2017-03-16 US disclosed
US-9540373-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
EP-2097376-A2 SPIRO-PIPERIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-09 EP disclosed
WO-2008077810-A2 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 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-20260008760-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF DPP9, DPP7, DPP4 MAPT 4670/4885LMNA 3945/4885TP53 4740/4885
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS MAPT 4687/4885LMNA 596/4885TP53 3028/4885

“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.