SCHEMBL28249031

SCHEMBL28249031

CN1CCN(CCCc2ccc(Br)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.62
RAB9A P51151 1/20 0.51
NMT1 P30419 1/20 0.50
KCNJ1 P48048 1/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL1239240 0.89 SIGMAR1 (0.57) SIGMAR1KCNJ1
SCHEMBL25595690 0.88 SIGMAR1 (0.55) SIGMAR1KCNJ1LTA4H
SCHEMBL2326201 0.85 LTA4H (0.64) SIGMAR1LTA4H
SCHEMBL11149095 0.82 SIGMAR1 (0.62) SIGMAR1
SCHEMBL1509508 0.82 SIGMAR1 (0.71) SIGMAR1KCNJ1
SCHEMBL3593088 0.81 SIGMAR1 (0.89) SIGMAR1LTA4H
SCHEMBL13858201 0.81 SIGMAR1 (0.70) SIGMAR1NMT1KCNJ1LTA4H
SCHEMBL427230 0.81 SIGMAR1 (0.70) SIGMAR1
SCHEMBL2730391 0.81 SIGMAR1 (0.57) SIGMAR1KCNJ1
SCHEMBL578497 0.79 LMNA (0.67) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS INSTITUT JEAN PAOLI & IRENE CALMETTES CENTRE REGIONAL DE LUTTE CONTRE LE CANCER (FR) 2025-03-20 US disclosed
CN-110506044-B BRD4 inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-07-05 CN disclosed
CN-110506044-A A kind of BRD4 inhibitor and its preparation and application SHANGHAI INST MATERIA MEDICA CAS 2019-11-26 CN disclosed
CN-108727380-A A kind of BRD4 inhibitor and its preparation and application 中国科学院上海药物研究所 2018-11-02 CN 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-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS DCK, DTYMK, TYMP SIGMAR1 3889/4885RAB9A 2529/4885NMT1 1443/4885

“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.