SCHEMBL5162369

SCHEMBL5162369

CC(C)(C)OC(=O)N1CC2C[C@@]2(CO)[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
TACR1 P25103 3/20 0.41
NR1H2 P55055 7/20 0.40
NR1H3 Q13133 6/20 0.40
RORC P51449 4/20 0.40
RXRA P19793 3/20 0.40
HTRA1 Q92743 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL5176974 1.00 ABCB1 (0.47) ABCB1TACR1NR1H2NR1H3RORC
SCHEMBL5162024 1.00 ABCB1 (0.47) ABCB1TACR1NR1H2NR1H3RORC
SCHEMBL5159580 0.89 ABCB1 (0.41) ABCB1TACR1NR1H2NR1H3RORC
SCHEMBL5161749 0.89 ABCB1 (0.41) ABCB1TACR1NR1H2NR1H3RORC
SCHEMBL5177624 0.84 NR1H2 (0.38) ABCB1TACR1NR1H2NR1H3RORC
SCHEMBL14446243 0.82 POLB (0.45) ABCB1MEN1KMT2A
SCHEMBL5158894 0.82 KDM1A (0.37) ABCB1MEN1KMT2A
SCHEMBL5161131 0.82 KDM1A (0.37) ABCB1MEN1KMT2A
SCHEMBL5415011 0.79 TACR1 (0.54) TACR1
SCHEMBL5161212 0.79 TACR1 (0.54) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US disclosed
EP-1756056-A1 AZA-BICYCLO[3.1.0]HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-28 EP disclosed
WO-2005121085-A1 AZA-BICYCLO`3.1.0!HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-12-22 WO disclosed
US-20050272800-A1 NK1 antagonists PFIZER INC 2005-12-08 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-20050272800-A1 NK1 antagonists TACR1, TACR2, TAC3 ABCB1 465/4885TACR1 1/4885NR1H2 1508/4885

“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.