SCHEMBL5574097

SCHEMBL5574097

C(CCCCN1CCCNCC1)CCCN1CCCNCC1

nearest known ligand 0.91

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 8/20 0.91
HRH3 Q9Y5N1 3/20 0.56
MEN1 O00255 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
ADRA2C P18825 1/20 0.47
CCR2 P41597 1/20 0.47
CXCL12 P48061 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GNAI3 P08754 3/20 0.43
GNAO1 P09471 3/20 0.43
GNAI1 P63096 3/20 0.43

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
SCHEMBL5569626 0.93 CXCR4 (0.91) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL9241446 0.91 CXCR4 (0.95) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL3255617 0.91 CXCR4 (0.76) CXCR4HRH3SIGMAR1POLBSMN1; SMN2
SCHEMBL151845 0.91 CXCR4 (0.87) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL5570628 0.91 CXCR4 (0.87) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL15043638 0.91 CXCR4 (0.91) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL24533550 0.90 CXCR4 (0.75) CXCR4HRH3CHRM2CHRM1HRH2
SCHEMBL11721752 0.90 CXCR4 (0.74) CXCR4HRH3CHRM2CHRM1SIGMAR1
SCHEMBL21569302 0.90 CXCR4 (0.74) CXCR4HRH3CHRM2CHRM1SIGMAR1
SCHEMBL11726023 0.90 CXCR4 (0.74) CXCR4HRH3CHRM2CHRM1SIGMAR1

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
EP-1057815-B1 CYCLIC AMIDE COMPOUNDS KOWA CO (JP) 2007-09-05 EP disclosed
US-6645957-B2 Useful in preventing and treating allergic immunological diseases; treating asthma, atopic dermatitis, allergic rhinitis, inflammatory large bowel disease, contact dermatitis KOWA CO., LTD. (JP) 2003-11-11 US disclosed
US-20030096828-A1 Cyclic amide compound KOWA CO., LTD. (JP) 2003-05-22 US disclosed
US-6448242-B1 COMPOUND HAVING A STRONG INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY; ANTIALLERGENS KOWA CO., LTD. (JP) 2002-09-10 US disclosed
EP-1057815-A1 CYCLIC AMIDE COMPOUNDS Kowa Co., Ltd. (JP) 2000-12-06 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 (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-20030096828-A1 Cyclic amide compound CMA1, HRH2, HRH4 CXCR4 563/4885HRH3 5/4885MEN1 2904/4885

“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.