SCHEMBL1634692

SCHEMBL1634692

[C]1c2ccccc2CCC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
GRIN2B Q13224 5/20 0.40
SIGMAR1 Q99720 3/20 0.37
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PLAU P00749 1/20 0.34
PRCP P42785 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32

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
SCHEMBL4289135 0.82 DRD2 (0.37)
SCHEMBL5591941 0.82 HTR2C (0.38) KDM1A
SCHEMBL8630503 0.80 PRCP (0.37) CYP11B2GRIN2BSIGMAR1KDM1AMAOA
SCHEMBL10596489 0.80 ESR1 (0.40) GRIN2B
SCHEMBL5715615 0.75 POLB (0.38) SIGMAR1GAAALDH1A1
SCHEMBL4282799 0.75 HSD11B1 (0.36) KDM1A
SCHEMBL7610196 0.74 SLC6A2 (0.36) SIGMAR1ALDH1A1
SCHEMBL1494065 0.74 DDB1 (0.38) GRIN2BALDH1A1
SCHEMBL4931080 0.73 CYP1A2 (0.40) CYP11B2KDM1AGAAALDH1A1MTNR1A
SCHEMBL4283465 0.72 MEN1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932261-B2 Macrocycle derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-04-26 US claimed
US-20070232630-A1 MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-10-04 US claimed
US-9182669-B2 Copolymer with acid-labile group, photoresist composition, coated substrate, and method of forming an electronic device ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2015-11-10 US disclosed
US-20150177614-A1 COPOLYMER WITH ACID-LABILE GROUP, PHOTORESIST COMPOSITION, COATED SUBSTRATE, AND METHOD OF FORMING AN ELECTRONIC DEVICE U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2015-06-25 US disclosed
WO-2015034778-A1 METHODS OF TREATING ERECTILE DYSFUNCTION BIOMIMETIX J.V., LLC (US) 2015-03-12 WO disclosed
US-7932261-B2 Macrocycle derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-04-26 US disclosed
US-20070232630-A1 MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-10-04 US disclosed
WO-2007092839-A2 MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 WO disclosed
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 US disclosed
EP-1625130-A2 HIV INTEGRASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2006-02-15 EP disclosed
WO-2004096807-A2 HIV INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-11-11 WO 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-20070232630-A1 MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BACE2, BACE1, PSEN2 CYP11B2 2301/4885GRIN2B 137/4885SIGMAR1 4783/4885
US-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 CYP11B2 282/4885GRIN2B 1249/4885SIGMAR1 101/4885

“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.