SCHEMBL7247288

SCHEMBL7247288

[NaH].c1ccc2c(c1)CCCCN2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPT P10636 4/20 0.47
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTR2C P28335 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL29373532 0.98 TSHR (0.52) TSHRMAPTALOX15HSD17B10NPC1
SCHEMBL24119 0.98 TSHR (0.52) TSHRMAPTALOX15HSD17B10NPC1
SCHEMBL28370547 0.98 TSHR (0.52) TSHRMAPTALOX15HSD17B10NPC1
SCHEMBL19996347 0.96 TSHR (0.50) TSHRMAPTALOX15HSD17B10NPC1
Hydrochloric Acid SCHEMBL28292055 0.96 TSHR (0.50) TSHRMAPTALOX15HSD17B10NPC1
SCHEMBL4504383 0.96 TSHR (0.50) TSHRMAPTALOX15HSD17B10NPC1
SCHEMBL2425535 0.96 TSHR (0.50) TSHRMAPTALOX15HSD17B10NPC1
SCHEMBL28370551 0.94 TSHR (0.54) TSHRMAPTALOX15HSD17B10NPC1
SCHEMBL28345077 0.94 TSHR (0.48) TSHRMAPTALOX15HSD17B10NPC1
Hydrochloric Acid SCHEMBL19742945 0.94 TSHR (0.48) TSHRMAPTALOX15HSD17B10NPC1

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-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B TSHR 180/4885MAPT 3643/4885ALOX15 1584/4885

“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.