SCHEMBL7605840

SCHEMBL7605840

COc1ccc(C(=O)N2CC3C(OCc4ccccc4)CCCC3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KCNA5 P22460 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
NAAA Q02083 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7607833 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KCNA5MEN1KMT2A
SCHEMBL7611724 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NAAANPC1RAB9A
SCHEMBL7611917 0.76 NAAA (0.42) ALDH1A1SMN1; SMN2KCNA5KMT2AMAPT
SCHEMBL6671710 0.75 KDM4E (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7610317 0.75 F2 (0.46) ALDH1A1KCNA5MEN1KMT2ACYP2D6
SCHEMBL7606000 0.74 ALDH1A1 (0.46) ALDH1A1KMT2ANAAANPC1RAB9A
SCHEMBL7612675 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2ANAAANPC1
SCHEMBL7605080 0.74 KCNA5 (0.43) ALDH1A1KCNA5MEN1KMT2ACYP2D6
SCHEMBL7612660 0.74 TSHR (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7609877 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNANAAAPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6500819-B2 HAS AN EXCELLENT ANXIOLYTIC EFFECT TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 2002-12-31 US disclosed
EP-0790237-B1 BICYCLOLACTAM COMPOUNDS, USE OF THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2002-09-18 EP disclosed
US-20020099048-A1 Bicycloloactam compounds, use thereof and intermediates for preparing thereof TAIHO PHARMACEUTICAL COMPANY LIMITED 2002-07-25 US disclosed
US-6355668-B1 ANXIOLYTIC AGENTS; SIDE EFFECT REDUCTION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-6303623-B1 TREATING ANXIETY IN A PATIENT IN NEED OF SUCH TREATMENT, COMPRISING ADMINISTERING BICYCLOLACTAM COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2001-10-16 US disclosed
US-6159987-A Bicyclolactam compounds, use thereof and intermediates for preparing thereof TAIHO PHARMACEUTICALS, CO. (JP) 2000-12-12 US disclosed
US-6004975-A ANXIOLYTIC AGENTS WITH SIDE EFFECT REDUCTION TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1999-12-21 US disclosed
EP-0790237-A1 BICYCLOLACTAM COMPOUNDS, USE OF THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-08-20 EP 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-20020099048-A1 Bicycloloactam compounds, use thereof and intermediates for preparing thereof CYP11B1, GABRA6, CYP11B2 ALDH1A1 304/4885SMN1; SMN2 629/4885KCNA5 1068/4885

“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.