SCHEMBL19214752

SCHEMBL19214752

CCCc1ccnc(CC(C)NCC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.40
SIGMAR1 Q99720 3/20 0.37
PTGER2 P43116 1/20 0.36
ACACB O00763 3/20 0.35
NR3C2 P08235 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
GPR142 Q7Z601 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL20032169 0.83 LNPEP (0.39) LNPEPSIGMAR1SMN1; SMN2CYP1A2MAPT
SCHEMBL20032533 0.80 LNPEP (0.36) LNPEPPTGER2NR3C2TSHRKDM4E
SCHEMBL18732582 0.76 PTPRA (0.54) TSHRKDM4ELMNACYP3A4SMN1; SMN2
SCHEMBL21686484 0.75 KDM4E (0.41) LNPEPTSHRKDM4ELMNACYP3A4
SCHEMBL20032170 0.74 KDM4E (0.39) LNPEPACACBNR3C2TSHRKDM4E
SCHEMBL19214716 0.74 SIGMAR1 (0.44) SIGMAR1CYP3A4CYP1A2CYP2D6
SCHEMBL20032168 0.73 LNPEP (0.37) LNPEPACACBNR3C2TSHRKDM4E
SCHEMBL20032172 0.70 SREBF2 (0.34) LNPEPTSHRKDM4ELMNACYP3A4
SCHEMBL20661464 0.69 LMNA (0.35) LNPEPSIGMAR1TSHRKDM4ELMNA
SCHEMBL18160695 0.69 NLRP3 (0.37) SIGMAR1ACACBTSHRKDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 LNPEP 2931/4885SIGMAR1 3883/4885PTGER2 3859/4885

“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.