SCHEMBL3221985

SCHEMBL3221985

O=C(NCCc1c[nH]c2ccccc12)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 9/20 0.49
SSTR1 P30872 5/20 0.49
SSTR3 P32745 5/20 0.49
SSTR4 P31391 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 1/20 0.46
GLA P06280 1/20 0.46
TACR2 P21452 1/20 0.46
TACR1 P25103 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SIRT1 Q96EB6 3/20 0.44
TP53 P04637 1/20 0.44
SSTR5 P35346 3/20 0.44
KDM4A O75164 1/20 0.44
SNCA P37840 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3221977 1.00 SSTR2 (0.49) SSTR2SSTR1SSTR3SSTR4SMN1; SMN2
SCHEMBL3220070 0.83 SCD (0.51)
SCHEMBL3222469 0.82 SCD (0.44)
SCHEMBL3222465 0.82 SCD (0.44)
SCHEMBL3228332 0.82 SCD (0.49)
SCHEMBL3228326 0.82 SCD (0.49)
SCHEMBL3224982 0.81 SCD (0.46)
SCHEMBL3224990 0.81 SCD (0.46)
SCHEMBL3231690 0.80 DCTPP1 (0.52)
SCHEMBL3231697 0.80 DCTPP1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 SSTR2 635/4885SSTR1 903/4885SSTR3 911/4885

“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.