SCHEMBL3399407

SCHEMBL3399407

O=C1NC(=O)C(Cc2ccc(OCC3CCCC4(CCCCC4)C3)cc2)S1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
CYP3A4 P08684 2/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
KMT2A Q03164 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HRH3 Q9Y5N1 1/20 0.55
FFAR1 O14842 7/20 0.52
PPARA Q07869 2/20 0.52
PPARG P37231 12/20 0.49
MPC2 O95563 2/20 0.47
CYP2C8 P10632 2/20 0.47
CYP2C9 P11712 2/20 0.47
RXRA P19793 1/20 0.45

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
SCHEMBL1300284 0.88 HPGD (0.64) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL1299773 0.86 HPGD (0.62) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL8310671 0.84 FFAR1 (0.63) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL8310673 0.84 FFAR1 (0.63) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL1074758 0.81 MAPT (0.55) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL1300308 0.80 HRH3 (0.65) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL11033260 0.79 HPGD (0.58) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL1299561 0.78 HRH3 (0.63) MAPTCYP3A4MEN1ALDH1A1TP53
SCHEMBL8957475 0.77 MAPT (0.68) MAPTCYP3A4MEN1ALDH1A1TP53
Ciglitazone SCHEMBL20125576 0.77 HPGD (1.00) MAPTCYP3A4MEN1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
EP-2684861-A2 Spiro compounds and pharmaceutical use thereof Japan Tobacco Inc. (JP) 2014-01-15 EP disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
EP-2508503-A1 Spiro compounds and pharmaceutical use thereof Japan Tobacco, Inc. (JP) 2012-10-10 EP disclosed
EP-2202216-B1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES JAPAN TOBACCO INC (JP) 2012-06-27 EP disclosed
EP-2202216-A1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco Inc. (JP) 2010-06-30 EP disclosed
EP-2202216-A1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco Inc. (JP) 2010-06-30 EP disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 US disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 US disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 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 (3 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-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 MAPT 2527/4885CYP3A4 135/4885MEN1 1311/4885
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 MAPT 2527/4885CYP3A4 135/4885MEN1 1311/4885
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 MAPT 2527/4885CYP3A4 135/4885MEN1 1311/4885

“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.