Heptane

Heptane

SCHEMBL5224080

CC(C)O.CCCCCCC.CCN(CC)CC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.46
PLA2G2A P14555 1/20 0.46
TSHR P16473 2/20 0.44
SPHK1 Q9NYA1 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39

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
Heptane SCHEMBL5761493 0.97 PLA2G1B (0.45) PLA2G1BPLA2G2ATSHRSPHK1THRB
Hexane SCHEMBL1545339 0.97 PLA2G1B (0.43) PLA2G1BPLA2G2ATSHRSPHK1THRB
Heptane SCHEMBL5761773 0.95 LMNA (0.43) PLA2G1BPLA2G2ATSHRSPHK1THRB
Hexane SCHEMBL6143994 0.94 PLA2G1B (0.41) PLA2G1BPLA2G2ATSHRSPHK1THRB
Hexane SCHEMBL28094651 0.92 SMN1; SMN2 (0.41) PLA2G1BPLA2G2ATSHRSPHK1THRB
Hexane SCHEMBL9806005 0.90 PLA2G1B (0.39) PLA2G1BPLA2G2ATSHRSPHK1THRB
Pentane SCHEMBL28094245 0.86 LMNA (0.37) PLA2G1BPLA2G2ATSHRSPHK1LMNA
Hexane SCHEMBL28464455 0.85 GPR84 (0.43) TSHRALDH1A1HSD17B10MEN1KMT2A
Heptane SCHEMBL6217 0.85 TSHR (0.61) TSHRSPHK1THRBLMNAALDH1A1
Isopropyl Alcohol SCHEMBL3893557 0.85 ALDH1A1 (0.46) TSHRTHRBLMNAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370550-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES, THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME NOVEXEL (FR) 2007-05-23 EP disclosed
EP-1299365-B1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed
US-6815547-B2 ANTIMICROBIAL AGENTS EFFECTIVE AGAINST STAPHYLOCOCCUS, STREPTOCOCCUS, ENTEROCOCCUS AVENTIS PHARMA S.A. (FR) 2004-11-09 US disclosed
EP-0891362-B1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LTD (GB) 2004-03-17 EP disclosed
US-20030171369-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them AVENTIS PHARMA S.A. 2003-09-11 US disclosed
US-6602884-B2 Useful as antibiotics against Staphylococcus, Streptococcus, Enterococcus and Moraxella AVENTIS PHARMA S.A. (FR) 2003-08-05 US disclosed
EP-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
US-20020177606-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them NOVEXEL (FR) 2002-11-28 US disclosed
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO disclosed
US-6215002-B1 CYCLIZATION, DEBLOCKING, DEPROTECTION, SULFONATION, CONDENSATION, AMIDATION; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS GLAXO WELLCOME INC. 2001-04-10 US disclosed
US-6057457-A ENZYME INHIBITORS FOR PROTEASE OR ENZYMES OF HYDROLYSIS GLAXO WELLCOME INC. (US) 2000-05-02 US disclosed
US-5994344-A BRONCHITIS THERAPY GLAXO WELLCOME INC. (US) 1999-11-30 US disclosed
EP-0891362-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-01-20 EP disclosed
WO-1997036903-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1997-10-09 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-20020177606-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them QDPR, MRPL21, RPLP2 PLA2G1B 3369/4885PLA2G2A 3134/4885TSHR 4643/4885
US-20030171369-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them QDPR, MRPL21, RPLP2 PLA2G1B 3369/4885PLA2G2A 3134/4885TSHR 4643/4885

“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.