SCHEMBL23869693

SCHEMBL23869693

CC(C)(C)CCC(C)(C)CCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
HRH3 Q9Y5N1 1/20 0.49
HRH1 P35367 2/20 0.48
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL116939 0.89 CYP1A2 (0.58) CYP1A2HRH3HRH1ALDH1A1LMNA
SCHEMBL30195799 0.89 CYP1A2 (0.58) CYP1A2HRH3HRH1ALDH1A1LMNA
SCHEMBL19521900 0.86 CYP1A2 (0.53) CYP1A2HRH3HRH1ALDH1A1LMNA
SCHEMBL23897418 0.86 CYP1A2 (0.53) CYP1A2HRH3HRH1ALDH1A1LMNA
SCHEMBL18400722 0.84 CYP1A2 (0.54) CYP1A2HRH3HRH1ALDH1A1LMNA
SCHEMBL22420936 0.82 CYP1A2 (0.56) CYP1A2HRH3HRH1ALDH1A1LMNA
SCHEMBL419621 0.81 HRH1 (0.55) CYP1A2HRH3HRH1ALDH1A1LMNA
SCHEMBL25297357 0.80 HRH1 (0.58) CYP1A2HRH3HRH1ALDH1A1LMNA
SCHEMBL20099816 0.78 CYP1A2 (0.52) CYP1A2HRH3HRH1ALDH1A1LMNA
SCHEMBL12803074 0.78 HRH1 (0.57) CYP1A2HRH3HRH1ALDH1A1LMNA

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-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-04-20 US disclosed
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 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-20230121556-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE LTB4R, LTC4S, LTA4H CYP1A2 2001/4885HRH3 1472/4885HRH1 1980/4885
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL CYP1A2 951/4885HRH3 770/4885HRH1 419/4885

“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.