SCHEMBL4830947

SCHEMBL4830947

N[C@@H](CCN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 4/20 0.48
DRD2 P14416 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR7 P34969 1/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
TACR1 P25103 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
Hydrochloric Acid SCHEMBL4836884 0.99 ALDH1A1 (0.54) ALDH1A1KMT2ADRD2SIGMAR1HTR7
SCHEMBL4838738 0.91 KMT2A (0.49) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL4831071 0.90 KMT2A (0.48) ALDH1A1KMT2ATACR1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4831009 0.90 KMT2A (0.48) ALDH1A1KMT2ATACR1SMN1; SMN2LMNA
SCHEMBL4836256 0.90 KMT2A (0.48) ALDH1A1KMT2ATACR1SMN1; SMN2LMNA
SCHEMBL4836644 0.89 TACR1 (0.49) ALDH1A1KMT2ATACR1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL4827786 0.89 KMT2A (0.47) ALDH1A1KMT2ATACR1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4835344 0.88 TACR1 (0.48) ALDH1A1KMT2ATACR1SMN1; SMN2MAPK1
SCHEMBL4831054 0.88 KMT2A (0.44) ALDH1A1KMT2AMEN1TACR1SMN1; SMN2
SCHEMBL4828017 0.87 CCR2 (0.52) ALDH1A1KMT2AMEN1TACR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351713-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2008-04-01 US claimed
US-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-04-07 US claimed

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-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 ALDH1A1 1168/4885KMT2A 4243/4885DRD2 691/4885

“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.