SCHEMBL3737183

SCHEMBL3737183

O=C(O)CCCn1[c]nnn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 3/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
TSHR P16473 2/20 0.36
NFKB1 P19838 2/20 0.36
PMP22 Q01453 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CAMK2A Q9UQM7 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
THRB P10828 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 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
SCHEMBL3745221 0.94 LMNA (0.41) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL11398877 0.93 TSHR (0.43) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL11182970 0.67 ALDH1A1 (0.33) TSHR
SCHEMBL8377176 0.63 CYP1A2 (0.78) CYP1A2MAPK1SMN1; SMN2LMNASLC22A6
SCHEMBL8947664 0.63
Glutarate SCHEMBL7414 0.59
Adipic Acid SCHEMBL2244299 0.59 LMNA (1.00) LMNASLC22A6TSHRNFKB1PMP22
Glutarate SCHEMBL6701735 0.59
Adipic Acid SCHEMBL25482 0.59 LMNA (1.00) LMNASLC22A6TSHRNFKB1PMP22
Adipic Acid SCHEMBL1330953 0.59 LMNA (1.00) LMNASLC22A6TSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4925948-A CEPHALOSPORIN ANTIBIOTIC CHEMICAL INTERMEDIATES FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-15 US disclosed
EP-0055465-B1 7-ACYLAMINOCEPHALOSPORANIC ACID DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-23 EP disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4596829-A Pharmaceuticals FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-06-24 US disclosed
US-4438113-A 7-Acylaminocephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-20 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4286089-A BACTERICIDES SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
US-4220644-A BACTERICIDES SMITHKLINE CORPORATION (US) 1980-09-02 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 (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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 CYP1A2 105/4885MAPK1 861/4885SMN1; SMN2 3675/4885

“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.