SCHEMBL24322504

SCHEMBL24322504

C[C@H](N)CCN1CCN(c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.62
DRD2 P14416 2/20 0.62
KCNH2 Q12809 2/20 0.59
CYP2D6 P10635 1/20 0.58
CHRNA7 P36544 1/20 0.56
HTR1A P08908 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GFER P55789 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
DRD4 P21917 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL13995405 0.86 SIGMAR1 (0.66) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL11172523 0.83 SIGMAR1 (0.62) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL9373661 0.82 KDM4E (0.71) SIGMAR1DRD2KCNH2HTR1AKDM4E
SCHEMBL14440408 0.80 KCNH2 (0.69) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL9041083 0.80 KCNH2 (0.80) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL6221057 0.79 KCNH2 (0.62) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
SCHEMBL14440410 0.79 KCNH2 (0.72) SIGMAR1DRD2KCNH2CYP2D6CHRNA7
Hydrochloric Acid SCHEMBL6217938 0.78 KCNH2 (0.61) SIGMAR1DRD2KCNH2CYP2D6HTR1A
SCHEMBL9944698 0.78 ALOX15 (0.41) ALDH1A1
SCHEMBL1820012 0.77 ALDH1A1 (0.59) SIGMAR1DRD2CHRNA7KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN SIGMAR1 3622/4885DRD2 4574/4885KCNH2 4773/4885

“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.