SCHEMBL4045246

SCHEMBL4045246

O=C(O)c1ccc(C2CCCCN2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
SRD5A2 P31213 1/20 0.44

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
SCHEMBL16401323 1.00 KMT2A (0.46) KMT2AMEN1CYP2D6CYP2C19CHRNB2
SCHEMBL28580499 0.95 PRKAB2 (0.48) KMT2AMEN1CYP2D6CYP2C19CHRNB2
SCHEMBL38656217 0.90 PRKAB2 (0.51) CHRNB2CHRNA7CHRNA4PRKAB2PRKAG1
SCHEMBL38656590 0.90 PRKAB2 (0.51) CHRNB2CHRNA7CHRNA4PRKAB2PRKAG1
SCHEMBL38659922 0.90 PRKAB2 (0.51) CHRNB2CHRNA7CHRNA4PRKAB2PRKAG1
SCHEMBL4045684 0.85 MEN1 (0.45) KMT2AMEN1CYP2D6CYP2C19CHRNB2
SCHEMBL26693436 0.85 PARP1 (0.51) KMT2AMEN1CYP2D6CYP2C19CHRNB2
SCHEMBL4767634 0.83 PARP1 (0.50) KMT2AMEN1CYP2D6CYP2C19CHRNB2
SCHEMBL3529098 0.81 ALDH1A1 (0.47) KMT2AMEN1CYP2D6CYP2C19POLB
SCHEMBL17782257 0.81 ALDH1A1 (0.47) KMT2AMEN1CYP2D6CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093663-B2 Piperidinyl-indole derivatives complement factor B inhibitors and uses thereof NOVARTIS AG (CH) 2018-10-09 US disclosed
EP-3299365-A1 PIPERIDINYL-INDOLE DERIVATIVES COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF Novartis AG (CH) 2018-03-28 EP disclosed
US-20180009795-A1 Piperidinyl-Indole Derivatives Complement Factor B Inhibitors and Uses Thereof NOVARTIS AG (CH) 2018-01-11 US disclosed
EP-3022192-B1 PIPERIDINYL INDOLE DERIVATIVES AND THEIR USE AS COMPLEMENT FACTOR B INHIBITORS NOVARTIS AG (CH) 2017-10-11 EP disclosed
EP-3022192-A1 PIPERIDINYL INDOLE DERIVATIVES AND THEIR USE AS COMPLEMENT FACTOR B INHIBITORS Novartis AG (CH) 2016-05-25 EP disclosed
WO-2015009616-A1 PIPERIDINYL INDOLE DERIVATIVES AND THEIR USE AS COMPLEMENT FACTOR B INHIBITORS NOVARTIS AG (CH) 2015-01-22 WO disclosed
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 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-10093663-B2 Piperidinyl-indole derivatives complement factor B inhibitors and uses thereof CFB, C5, TFPI KMT2A 3431/4885MEN1 824/4885CYP2D6 1342/4885
US-20180009795-A1 Piperidinyl-Indole Derivatives Complement Factor B Inhibitors and Uses Thereof CFB, C5, TFPI KMT2A 3431/4885MEN1 824/4885CYP2D6 1342/4885

“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.