SCHEMBL15043376

SCHEMBL15043376

O/N=C1/[C@@H]2CC[C@H]1Cc1ccccc1C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 2/20 0.40
ADRA1A P35348 1/20 0.40
PLAU P00749 1/20 0.38
ANPEP P15144 1/20 0.36
GRIN2B Q13224 1/20 0.35
SLC18A3 Q16572 2/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL4681283 1.00 CYP2D6 (0.41) CYP2D6MEN1RECQLKMT2AIDO1
SCHEMBL14208065 0.79 DRD2 (0.38) CYP2D6MEN1RECQLKMT2AADRA1A
SCHEMBL6109896 0.79 DRD2 (0.45)
SCHEMBL6109893 0.79 DRD2 (0.45)
SCHEMBL14202528 0.78 CYP2D6 (0.38) CYP2D6MEN1RECQLKMT2AIDO1
SCHEMBL14458459 0.74 CHRNB2 (0.39) MEN1KMT2APLAUL3MBTL1CHRNB2
SCHEMBL5621945 0.74 CHRNB2 (0.39) MEN1KMT2APLAUL3MBTL1CHRNB2
SCHEMBL11221034 0.74 DRD2 (0.49) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL11221031 0.74 DRD2 (0.49) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL6107223 0.71 PNMT (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272962-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN KETTERING INST CANCER (US) 2015-10-01 US disclosed
US-20150272962-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN KETTERING INST CANCER (US) 2015-10-01 US disclosed
US-9056857-B2 Methods for treating or preventing cancer and neurodegenerative diseases SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-06-16 US disclosed
US-9056857-B2 Methods for treating or preventing cancer and neurodegenerative diseases SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-06-16 US disclosed
US-20130158017-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-20 US disclosed
US-20130158017-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-20 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-20130158017-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN2 CYP2D6 4189/4885MEN1 1506/4885RECQL 19/4885
US-20150272962-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN2 CYP2D6 4189/4885MEN1 1506/4885RECQL 19/4885

“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.