SCHEMBL3844129

SCHEMBL3844129

c1ccc(N(c2cccnc2)C2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.54
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCR5 P51681 1/20 0.46

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
SCHEMBL25598478 0.87 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19
SCHEMBL3837450 0.85 SLC6A2 (0.62) SLC6A2SLC6A4CCR5
Hydrochloric Acid SCHEMBL18263847 0.83 SLC6A2 (0.60) SLC6A2SLC6A4
SCHEMBL4385623 0.80 CCR5 (0.66) CYP3A4CCR5
SCHEMBL28759723 0.79 CHRNB2 (0.41) SLC6A2SLC6A4CYP2C9CYP2C19
SCHEMBL31023740 0.79 CYP3A4 (0.41) CYP3A4SLC6A2SLC6A4CYP2C9CYP2C19
SCHEMBL10112721 0.78 TNF (0.40) CYP3A4CYP2C9CYP2C19
SCHEMBL27544747 0.76 SLC6A2 (0.40) CYP3A4SLC6A2SLC6A4
SCHEMBL12232428 0.76 SLC6A2 (0.57) SLC6A2SLC6A4
SCHEMBL16503429 0.76 SLC6A2 (0.57) SLC6A2SLC6A4CCR5

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
EP-1379504-B1 BIPIPERIDINYL-DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTORS INHIBITORS NOVARTIS PHARMA GMBH (AT) 2009-10-28 EP disclosed
CN-100469767-C Bipiperidine derivatives and their use as chemokine receptor inhibitors NOVARTIS AG (CH) 2009-03-18 CN disclosed
US-20040142920-A1 Bipiperidinyl-derivatives and their use as chemokine receptors inhibitors NOVARTIS 2004-07-22 US disclosed
CN-1501915-A Bipiperidine derivatives and their use as chemokine receptor inhibitors ��˹��ŵ�� 2004-06-02 CN disclosed
EP-1379504-A1 BIPIPERIDINYL-DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTORS INHIBITORS Novartis Pharma GmbH (AT) 2004-01-14 EP disclosed
WO-2002081449-A1 BIPIPERIDINYL-DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTORS INHIBITORS NOVARTIS AG (CH) 2002-10-17 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 (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-20040142920-A1 Bipiperidinyl-derivatives and their use as chemokine receptors inhibitors CCR5, CCR2, CXCR3 CYP3A4 1772/4885SLC6A2 3012/4885SLC6A4 2662/4885

“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.