SCHEMBL6356899

SCHEMBL6356899

NCC(=O)N1CC2=CN(Cc3ccc(F)cc3F)CC2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 3/20 0.35
DPP7 Q9UHL4 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
DPP8 Q6V1X1 2/20 0.34
KCNK3 O14649 1/20 0.34
F2 P00734 1/20 0.34
DPP9 Q86TI2 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
GRIN2B Q13224 1/20 0.33
FAP Q12884 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6363450 0.81 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2DPP4
SCHEMBL6358897 0.77 TDP1 (0.48) ALDH1A1TDP1KDM4ESMN1; SMN2MEN1
SCHEMBL6356897 0.74 HDAC1 (0.47) ALDH1A1TDP1KDM4ESMN1; SMN2DPP4
SCHEMBL27145851 0.60 DPP4 (0.41) ALDH1A1TDP1KDM4ESMN1; SMN2DPP4
SCHEMBL2637135 0.60 OPRM1 (0.49) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3759056 0.59 HDAC8 (0.53) ALDH1A1KDM4EDPP4HTR2AHTR2C
SCHEMBL6792953 0.58 KDM4E (0.96) ALDH1A1TDP1KDM4ESMN1; SMN2GPR6
SCHEMBL16731628 0.58 KDM4E (0.89) ALDH1A1TDP1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL22445646 0.58 P2RX7 (0.54) ALDH1A1TDP1KDM4ESMN1; SMN2DPP4
SCHEMBL30341003 0.57 KDM4E (1.00) ALDH1A1TDP1KDM4ESMN1; SMN2HTR2A

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-20050234090-A1 Modulators of chemokine receptor activity PFIZER INC 2005-10-20 US disclosed
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 US disclosed
EP-1368354-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Pfizer Products Inc. (US) 2003-12-10 EP disclosed
US-20030008893-A1 Modulators of chemokine receptor activity COLON-CRUZ ROBERTO (US) 2003-01-09 US disclosed
WO-2002070523-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY PFIZER PRODUCTS INC. (US) 2002-09-12 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-20030008893-A1 Modulators of chemokine receptor activity CCR1, CCR3, CCR2 ALDH1A1 1764/4885TDP1 3700/4885KDM4E 4790/4885
US-20050234090-A1 Modulators of chemokine receptor activity CCR3, CCR2, CCR1 ALDH1A1 1982/4885TDP1 3782/4885KDM4E 4766/4885

“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.