SCHEMBL10653671

SCHEMBL10653671

Oc1ccccc1C1CCCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 2/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNA7 P36544 2/20 0.45
CHRNA4 P43681 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
DRD2 P14416 1/20 0.43
CHRM5 P08912 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 2/20 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
SCHEMBL6829331 0.94 DRD2 (0.47) IKBKBMEN1KMT2ACYP2D6CYP2C19
SCHEMBL13928040 0.80 MEN1 (0.39) IKBKBMEN1KMT2ADRD2
SCHEMBL2097203 0.80 IDO1 (0.43) IKBKBMEN1KMT2ACYP2D6CYP2C19
SCHEMBL28535227 0.79 MEN1 (0.46) IKBKBMEN1KMT2ACYP2D6CYP2C19
SCHEMBL25235310 0.78 CYP2D6 (0.45) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL17304029 0.78 HTR2C (0.50) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL30812563 0.78 KDM4E (0.46) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL1764675 0.78 KDM4E (0.46) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL13451469 0.78 HTR2C (0.50) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL30008129 0.78 KDM4E (0.46) MEN1KMT2ACYP2D6CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339149-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2022-05-24 US disclosed
US-20210107900-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2021-04-15 US disclosed
CN-103059014-B Novel heteroary aminoderivative BEIJING HANMEI PHARMACEUTICAL CO., LTD. (CN) 2016-05-18 CN disclosed
CN-103059014-A Novel heteroaryl amino derivative BEIJING HANMEI PHARMACEUTICAL CO LTD 2013-04-24 CN disclosed
EP-0119087-B1 2-(2-HYDROXY-4-(SUBSTITUTED) PHENYL) PIPERIDINES PFIZER INC. (US) 1988-10-05 EP disclosed
EP-0119087-A1 2-(2-Hydroxy-4-(substituted) phenyl) piperidines PFIZER INC. (US) 1984-09-19 EP 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-11339149-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS IKBKB 205/4885MEN1 1546/4885KMT2A 4066/4885
US-20210107900-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS IKBKB 205/4885MEN1 1546/4885KMT2A 4066/4885

“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.