SCHEMBL5600775

SCHEMBL5600775

CC1(CN2CCC(CN)CC2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
CXCR4 P61073 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR4 Q13639 2/20 0.31

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
SCHEMBL2010650 0.80 HTR4 (0.41) NCF1CXCR4HTR4
SCHEMBL5600653 0.77 HTT (0.32) HTTLMNAGAATSHRKDM4E
SCHEMBL1970098 0.75 PLG (0.35) NCF1CXCR4LMNAKDM4EHTR4
SCHEMBL8276754 0.74 HTR4 (0.35) NCF1CXCR4LMNAGAATSHR
SCHEMBL5114260 0.74 HTR4 (0.34) NCF1GAAHTR4
SCHEMBL15499261 0.72 HTT (0.44) HTTLMNAGAATSHRKDM4E
SCHEMBL26065167 0.72 HTT (0.36) HTTLMNAGAATSHRKDM4E
SCHEMBL1971581 0.71 USP2 (0.35) NCF1HTR4
SCHEMBL8276763 0.71 HTR4 (0.35) NCF1LMNAGAATSHRHTR4
SCHEMBL24837676 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 US disclosed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP disclosed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US 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-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 NCF1 1324/4885CXCR4 1959/4885HTT 3634/4885

“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.