SCHEMBL466314

SCHEMBL466314

COC(=O)CC1(CN)CCCCCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
LMNA P02545 2/20 0.62
ALDH1A1 P00352 2/20 0.62
USP2 O75604 1/20 0.62
CYP1A2 P05177 1/20 0.62
BLM P54132 1/20 0.62
CACNA2D1 P54289 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1643330 1.00 TSHR (0.62) TSHRLMNAALDH1A1USP2CYP1A2
Hydrochloric Acid SCHEMBL3648260 0.98 TSHR (0.60) TSHRLMNAALDH1A1USP2CYP1A2
SCHEMBL29624772 0.98 TSHR (0.59) TSHRLMNAALDH1A1USP2CYP1A2
SCHEMBL29774533 0.94 TSHR (0.53) TSHRLMNAALDH1A1USP2CYP1A2
SCHEMBL16314979 0.92 TSHR (0.50) TSHRLMNAALDH1A1USP2CYP1A2
SCHEMBL4691009 0.87 TSHR (0.43) TSHRLMNAALDH1A1USP2CYP1A2
SCHEMBL14534858 0.84 USP2 (0.62) TSHRLMNAALDH1A1USP2CYP1A2
SCHEMBL12173742 0.83 ALDH1A1 (0.67) TSHRLMNAALDH1A1USP2CYP1A2
SCHEMBL17916993 0.83 TSHR (0.43) TSHRLMNAALDH1A1USP2CYP1A2
SCHEMBL28606455 0.83 ALDH1A1 (0.56) TSHRLMNAALDH1A1USP2CYP1A2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007120485-A2 METHODS OF TREATING PAIN WITH ALKYLXANTHINES AND ANTIEPILEPTICS AND COMPOSITIONS FOR USE THEREFOR CINERGEN, LLC (US) 2007-10-25 WO claimed
EP-0552240-B1 NEW METHOD OF TREATING DEPRESSION WARNER LAMBERT CO (US) 1998-03-18 EP claimed
EP-0446570-B1 Gabapentin and its derivatives for treating neurodegenerative diseases WARNER LAMBERT CO (US) 1995-08-02 EP claimed
US-4087544-A Treatment of cranial dysfunctions using novel cyclic amino acids WARNER-LAMBERT COMPANY (US) 1978-05-02 US claimed
US-4024175-A Cyclic amino acids WARNER-LAMBERT COMPANY (US) 1977-05-17 US claimed
US-20120178771-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use RELMADA THERAPEUTICS, INC. 2012-07-12 US disclosed
EP-2405754-A1 MODIFIED RELEASE PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE Theraquest Biosciences, Inc. (US) 2012-01-18 EP disclosed
US-20110097395-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use RELMADA THERAPEUTICS, INC. 2011-04-28 US disclosed
WO-2007120485-A2 METHODS OF TREATING PAIN WITH ALKYLXANTHINES AND ANTIEPILEPTICS AND COMPOSITIONS FOR USE THEREFOR CINERGEN, LLC (US) 2007-10-25 WO disclosed
US-7056951-B2 Stable solid dosage forms of amino acids and processes for producing same MUTUAL PHARMACEUTICAL CO., INC. (US) 2006-06-06 US disclosed
EP-1011658-B1 ANALGESIC COMPOSITIONS COMPRISING ANTI-EPILEPTIC COMPOUNDS AND METHODS OF USING SAME WARNER LAMBERT CO (US) 2005-12-07 EP disclosed
US-6942876-B2 Analgesic compositions comprising anti-epileptic compounds and methods of using same WARNER-LAMBERT COMPANY (US) 2005-09-13 US disclosed
EP-0552240-A4 NEW METHOD OF TREATING DEPRESSION 1993-09-01 EP disclosed
EP-0552240-A1 NEW METHOD OF TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-07-28 EP disclosed
WO-1992006686-A1 NEW METHOD OF TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1992-04-30 WO disclosed
US-5084479-A Aminomethylcycloalkylacetic acids for nervous system disorders WARNER-LAMBERT COMPANY (US) 1992-01-28 US disclosed
EP-0446570-A2 Gabapentin and its derivatives for treating neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 1991-09-18 EP disclosed
US-5025035-A Administering antidepressants WARNER-LAMBERT COMPANY (US) 1991-06-18 US disclosed
US-4087544-A Treatment of cranial dysfunctions using novel cyclic amino acids WARNER-LAMBERT COMPANY (US) 1978-05-02 US disclosed
US-4024175-A Cyclic amino acids WARNER-LAMBERT COMPANY (US) 1977-05-17 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 (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-20120178771-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use OPRK1, OPRM1, OPRD1 TSHR 3222/4885LMNA 3833/4885ALDH1A1 388/4885
US-20110097395-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use CYP2B6, CYP3A5, OPRM1 TSHR 3116/4885LMNA 4066/4885ALDH1A1 622/4885

“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.