SCHEMBL21885656

SCHEMBL21885656

O=C(O)N1CCC(c2ccccc2Br)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.52
RBP4 P02753 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 4/20 0.45
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
BRD4 O60885 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HDAC4 P56524 1/20 0.42
MGLL Q99685 1/20 0.41
CCR5 P51681 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CREBBP Q92793 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL23203185 0.83 BRD4 (0.49) BACE1RBP4L3MBTL3L3MBTL1POLB
SCHEMBL28942169 0.81 RBP4 (0.50) RBP4MEN1KMT2APOLBBRD4
SCHEMBL2636989 0.80 RBP4 (0.52) RBP4MEN1KMT2AL3MBTL1BRD4
SCHEMBL19926965 0.80 RBP4 (0.52) RBP4MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL27900121 0.80 TRPV1 (0.55) RBP4MEN1KMT2APOLBBRD4
SCHEMBL4675402 0.80 RBP4 (0.52) RBP4MEN1KMT2APOLBBRD4
SCHEMBL2636181 0.80 RBP4 (0.49) RBP4MEN1KMT2ATP53RAB9A
SCHEMBL21885670 0.78 GPR119 (0.55) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL30436742 0.78 GPR119 (0.55) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL2101664 0.78 RBP4 (0.47) RBP4MEN1KMT2APOLBBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784655-B1 PROCESS FOR PREPARING 2-(1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-YL)BENZOIC ACID THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-04 EP disclosed
EP-3784655-A1 PROCESS FOR PREPARING 2-(1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-YL)BENZOIC ACID Theravance Biopharma R&D IP, LLC (US) 2021-03-03 EP disclosed
US-10640467-B2 Process for preparing 2-(1-(tert-butoxycarbonyl)piperidine-4-yl)benzoic acid THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-05-05 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-10640467-B2 Process for preparing 2-(1-(tert-butoxycarbonyl)piperidine-4-yl)benzoic acid BDNF, GABRE, NPY5R BACE1 515/4885RBP4 3103/4885MEN1 3165/4885

“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.