SCHEMBL6356897

SCHEMBL6356897

NCC(=O)N1CC2CN(Cc3ccc(F)cc3F)CC2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRIN2B Q13224 3/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6796586 0.79 HDAC1 (0.46) HDAC1HDAC2GRIN2BDPP4SIGMAR1
SCHEMBL6363443 0.78 ALDH1A1 (0.50) HDAC1HDAC2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6363842 0.77 GRIN2B (0.45) ALDH1A1GRIN2BMEN1KMT2A
SCHEMBL6356899 0.74 ALDH1A1 (0.39) HDAC1HDAC2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6359494 0.74 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1TDP1GRIN2B
SCHEMBL6358888 0.73 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1TDP1GRIN2B
SCHEMBL6795892 0.73 ALDH1A1 (0.53) KDM4ESMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL6358479 0.73 HCRTR1 (0.56) SMN1; SMN2ALDH1A1TDP1HTR2AHTR2C
SCHEMBL19625647 0.68 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1TDP1BCHE
SCHEMBL20600701 0.67 KDM4E (0.62) KDM4ESMN1; SMN2ALDH1A1TDP1BCHE

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 HDAC1 1016/4885HDAC2 2160/4885KDM4E 4790/4885
US-20050234090-A1 Modulators of chemokine receptor activity CCR3, CCR2, CCR1 HDAC1 1190/4885HDAC2 2208/4885KDM4E 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.