SCHEMBL19852589

SCHEMBL19852589

CC(C)[C@@H](C)c1ccc(CN2CCN(C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
MC4R P32245 1/20 0.58
CHKA P35790 7/20 0.56
CA2 P00918 1/20 0.53
NCF1 P14598 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
ALDH1A1 P00352 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL6894415 0.86 LMNA (0.68) LMNAMC4RCHKACA2NCF1
SCHEMBL20710201 0.84 HRH3 (0.64) NCF1ALDH1A1HRH3KDM4ESMN1; SMN2
SCHEMBL21378560 0.83 LMNA (0.64) LMNAMC4RCHKACA2NCF1
SCHEMBL19778598 0.83 LMNA (0.64) LMNAMC4RCHKACA2NCF1
SCHEMBL15960142 0.83 LMNA (0.64) LMNAMC4RCHKACA2NCF1
SCHEMBL18737247 0.81 HRH3 (0.61) LMNAALDH1A1HRH3HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL21273658 0.81 LMNA (0.62) LMNAMC4RCHKACA2NCF1
Hydrochloric Acid SCHEMBL21273655 0.81 LMNA (0.62) LMNAMC4RCHKACA2NCF1
SCHEMBL26378176 0.81 CHKA (0.68) LMNAMC4RCHKACA2NCF1
SCHEMBL12017826 0.81 LMNA (0.57) LMNAMC4RCHKACA2NCF1

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-20180037573-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 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-20180037573-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 LMNA 2477/4885MC4R 1266/4885CHKA 1244/4885

“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.