SCHEMBL608555

SCHEMBL608555

Cc1ccc(CC(C)NCc2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.82
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
TAAR1 Q96RJ0 2/20 0.53
SLC18A2 Q05940 1/20 0.53

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
SCHEMBL8092729 1.00 SIGMAR1 (0.82) SIGMAR1SMN1; SMN2LMNAPOLBMAPK1
N-Benzylamphetamine SCHEMBL2795222 0.91 SIGMAR1 (1.00) SIGMAR1LMNAPOLBMAPK1CYP1A2
N-Benzylamphetamine SCHEMBL2451256 0.91 SIGMAR1 (1.00) SIGMAR1LMNAPOLBMAPK1CYP1A2
N-Benzylamphetamine SCHEMBL2798189 0.91 SIGMAR1 (1.00) SIGMAR1LMNAPOLBMAPK1CYP1A2
N-Benzylamphetamine SCHEMBL8085021 0.89 SIGMAR1 (0.96) SIGMAR1LMNAPOLBMAPK1CYP1A2
SCHEMBL606189 0.87 SIGMAR1 (0.85) SIGMAR1LMNAPOLBMAPK1CYP1A2
SCHEMBL24997843 0.84 SIGMAR1 (0.79) SIGMAR1LMNAPOLBMAPK1CYP1A2
SCHEMBL8091283 0.84 SIGMAR1 (0.79) SIGMAR1LMNAPOLBMAPK1CYP1A2
SCHEMBL10005270 0.84 SIGMAR1 (0.79) SIGMAR1LMNAPOLBMAPK1CYP1A2
SCHEMBL3235181 0.84 SIGMAR1 (0.79) SIGMAR1LMNAPOLBMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-02-09 US disclosed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
US-3994974-A BRONCHODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-11-30 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 (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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 SIGMAR1 3129/4885SMN1; SMN2 2706/4885LMNA 981/4885
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 SIGMAR1 4425/4885SMN1; SMN2 4731/4885LMNA 4214/4885

“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.