SCHEMBL466237

SCHEMBL466237

CCCCOC(=O)CC1(CN)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
BLM P54132 1/20 0.50
CACNA2D1 P54289 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRKCA P17252 3/20 0.42
HTR2C P28335 1/20 0.40
NAAA Q02083 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DGKA P23743 1/20 0.36
SLC6A5 Q9Y345 1/20 0.35

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
SCHEMBL5592415 1.00 ALDH1A1 (0.50) ALDH1A1TSHRUSP2LMNACYP1A2
Hydrochloric Acid SCHEMBL7346253 0.98 ALDH1A1 (0.49) ALDH1A1TSHRUSP2LMNACYP1A2
SCHEMBL466226 0.98 TSHR (0.47) ALDH1A1TSHRUSP2LMNACYP1A2
Hydrochloric Acid SCHEMBL7340720 0.97 TSHR (0.46) ALDH1A1TSHRUSP2LMNACYP1A2
SCHEMBL466295 0.83 ALDH1A1 (0.56) ALDH1A1TSHRUSP2LMNACYP1A2
SCHEMBL13945296 0.83 ALDH1A1 (0.43) ALDH1A1TSHRUSP2LMNACYP1A2
SCHEMBL466282 0.82 CYP1A2 (0.41) ALDH1A1TSHRUSP2LMNACYP1A2
Hydrochloric Acid SCHEMBL6578159 0.82 ALDH1A1 (0.55) ALDH1A1TSHRUSP2LMNACYP1A2
SCHEMBL6575839 0.82 ALDH1A1 (0.47) ALDH1A1TSHRUSP2LMNACYP1A2
SCHEMBL1643742 0.81 ALDH1A1 (0.36) ALDH1A1TSHRUSP2LMNACYP1A2

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 51 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-1763503-A1 4-T-BUTYLGABAPENTIN AND ITS SYNTHESIS Hikal Limited (IN) 2007-03-21 EP claimed
WO-2005087709-A1 4-T-BUTYLGABAPENTIN AND ITS SYNTHESIS HIKAL LIMITED (IN) 2005-09-22 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
EP-0458751-A1 Delivery system for cyclic amino acids with improved taste, texture and compressibility WARNER-LAMBERT COMPANY (US) 1991-11-27 EP 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
EP-2262367-A2 ORAL PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE AND METHOD OF USE Theraquest Biosciences, Inc. (US) 2010-12-22 EP disclosed
WO-2010104494-A1 MODIFIED RELEASE PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE THERAQUEST BIOSCIENCES, INC. (US) 2010-09-16 WO disclosed
WO-2009114118-A2 ORAL PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE AND METHOD OF USE THERAQUEST BIOSCIENCES, INC. (US) 2009-09-17 WO 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
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-0458751-A1 Delivery system for cyclic amino acids with improved taste, texture and compressibility WARNER-LAMBERT COMPANY (US) 1991-11-27 EP 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

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 ALDH1A1 388/4885TSHR 3222/4885USP2 3448/4885
US-20110097395-A1 Oral Pharmaceutical Compositions of Buprenorphine and Method of Use CYP2B6, CYP3A5, OPRM1 ALDH1A1 622/4885TSHR 3116/4885USP2 4505/4885

“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.